ChemSpider 2D Image | Methyl 5-methyl-3-[({3-[(methylsulfonyl)amino]propyl}carbamoyl)amino]-1H-pyrrole-2-carboxylate | C12H20N4O5S

Methyl 5-methyl-3-[({3-[(methylsulfonyl)amino]propyl}carbamoyl)amino]-1H-pyrrole-2-carboxylate

  • Molecular FormulaC12H20N4O5S
  • Average mass332.376 Da
  • Monoisotopic mass332.115448 Da
  • ChemSpider ID30231304

More details:

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

1H-Pyrrole-2-carboxylic acid, 5-methyl-3-[[[[3-[(methylsulfonyl)amino]propyl]amino]carbonyl]amino]-, methyl ester [ACD/Index Name]
5-Méthyl-3-[({3-[(méthylsulfonyl)amino]propyl}carbamoyl)amino]-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-methyl-3-[({3-[(methylsulfonyl)amino]propyl}carbamoyl)amino]-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-5-methyl-3-[({3-[(methylsulfonyl)amino]propyl}carbamoyl)amino]-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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: 1.567
Molar Refractivity: 79.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 78.36
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 78.99
Polar Surface Area: 138 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 243.2±3.0 cm3

Click to predict properties on the Chemicalize site


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