ChemSpider 2D Image | N,N-Dimethyl-2-({[(5-methyl-1,2-oxazol-4-yl)sulfonyl]amino}methyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide | C15H22N6O4S

N,N-Dimethyl-2-({[(5-methyl-1,2-oxazol-4-yl)sulfonyl]amino}methyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide

  • Molecular FormulaC15H22N6O4S
  • Average mass382.438 Da
  • Monoisotopic mass382.142334 Da
  • ChemSpider ID29486156

More details:

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

4H-Pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide, 7,8-dihydro-N,N-dimethyl-2-[[[(5-methyl-4-isoxazolyl)sulfonyl]amino]methyl]- [ACD/Index Name]
N,N-Dimethyl-2-({[(5-methyl-1,2-oxazol-4-yl)sulfonyl]amino}methyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-carboxamid [German] [ACD/IUPAC Name]
N,N-Dimethyl-2-({[(5-methyl-1,2-oxazol-4-yl)sulfonyl]amino}methyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide [ACD/IUPAC Name]
N,N-Diméthyl-2-({[(5-méthyl-1,2-oxazol-4-yl)sulfonyl]amino}méthyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazépine-5(6H)-carboxamide [French] [ACD/IUPAC Name]
N,N-dimethyl-2-({[(5-methylisoxazol-4-yl)sulfonyl]amino}methyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 650.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.3±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 96.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.03
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.33
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.55
Polar Surface Area: 122 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 256.5±7.0 cm3

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