ChemSpider 2D Image | MMP Inhibitor II | C21H27N3O8S2

MMP Inhibitor II

  • Molecular FormulaC21H27N3O8S2
  • Average mass513.584 Da
  • Monoisotopic mass513.123962 Da
  • ChemSpider ID4073

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE
203915-59-7 [RN]
2-Pyrimidinecarboxamide, hexahydro-N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl- [ACD/Index Name]
MMP Inhibitor II
N-Hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethylhexahydro-2-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-Hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethylhexahydro-2-pyrimidinecarboxamide [ACD/IUPAC Name]
N-Hydroxy-1,3-bis[(4-méthoxyphényl)sulfonyl]-5,5-diméthylhexahydro-2-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
2-Pyrimidinecarboxamide, hexahydro-N-hydroxy-1,3-bis((4-methoxyphenyl)sulfonyl)-5,5-dimethyl-
hexahydro-N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-2-pyrimidinecarboxamide
MMPInhibitorII
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEMBL115727 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.78
ACD/KOC (pH 5.5): 503.33
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.47
ACD/KOC (pH 7.4): 499.69
Polar Surface Area: 159 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 370.6±3.0 cm3

Click to predict properties on the Chemicalize site


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