Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03656"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Tribenuron Methyl"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.
Aminotriazines
Organic Compounds
Heterocyclic Compounds
Triazines
Aminotriazines
Alkyl Aryl Ethers
Sulfonylureas
Sulfonamides
Sulfonyls
Carboxylic Acid Esters
Tertiary Amines
Polyamines
Enolates
sulfonic acid derivative
sulfonamide
sulfonyl
carboxylic acid ester
tertiary amine
carboxylic acid derivative
ether
polyamine
enolate
amine
organonitrogen compound
logP
0.67
ALOGPS
logS
-2.9
ALOGPS
Water Solubility
5.40e-01 g/l
ALOGPS
logP
1.32
ChemAxon
IUPAC Name
methyl (1R,2S)-2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]amino}sulfonyl)cyclohexane-1-carboxylate
ChemAxon
Traditional IUPAC Name
methyl (1R,2S)-2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]aminosulfonyl}cyclohexane-1-carboxylate
ChemAxon
Molecular Weight
401.438
ChemAxon
Monoisotopic Weight
401.136904183
ChemAxon
SMILES
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NC(=O)N(C)C1=NC(C)=NC(OC)=N1
ChemAxon
Molecular Formula
C15H23N5O6S
ChemAxon
InChI
InChI=1S/C15H23N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h10-11H,5-8H2,1-4H3,(H,19,22)/t10-,11-/m0/s1
ChemAxon
InChIKey
InChIKey=YMXOXAPKZDWXLY-QWRGUYRKSA-N
ChemAxon
Polar Surface Area (PSA)
140.68
ChemAxon
Refractivity
95.44
ChemAxon
Polarizability
39.79
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
3.24
ChemAxon
pKa (strongest basic)
-1
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46936745
PubChem Substance
46506226
PDB
1TB
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object