ChemSpider 2D Image | N-(3-Methoxy-1-methyl-1H-pyrazol-4-yl)-4-(methylsulfonyl)-1,4-diazepane-1-carboxamide | C12H21N5O4S

N-(3-Methoxy-1-methyl-1H-pyrazol-4-yl)-4-(methylsulfonyl)-1,4-diazepane-1-carboxamide

  • Molecular FormulaC12H21N5O4S
  • Average mass331.391 Da
  • Monoisotopic mass331.131439 Da
  • ChemSpider ID80072769

More details:

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

1H-1,4-Diazepine-1-carboxamide, hexahydro-N-(3-methoxy-1-methyl-1H-pyrazol-4-yl)-4-(methylsulfonyl)- [ACD/Index Name]
N-(3-Methoxy-1-methyl-1H-pyrazol-4-yl)-4-(methylsulfonyl)-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
N-(3-Methoxy-1-methyl-1H-pyrazol-4-yl)-4-(methylsulfonyl)-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
N-(3-Méthoxy-1-méthyl-1H-pyrazol-4-yl)-4-(méthylsulfonyl)-1,4-diazépane-1-carboxamide [French] [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: 1.626
Molar Refractivity: 82.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.20
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.21
Polar Surface Area: 105 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 232.1±7.0 cm3

Click to predict properties on the Chemicalize site


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