ChemSpider 2D Image | 4-[(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinyl)sulfonyl]-1,4-oxazepane-6-carboxylic acid | C16H19N3O7S

4-[(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinyl)sulfonyl]-1,4-oxazepane-6-carboxylic acid

  • Molecular FormulaC16H19N3O7S
  • Average mass397.403 Da
  • Monoisotopic mass397.094360 Da
  • ChemSpider ID78871245

More details:

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

1,4-Oxazepine-6-carboxylic acid, hexahydro-4-[(1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-6-quinazolinyl)sulfonyl]- [ACD/Index Name]
4-[(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-chinazolinyl)sulfonyl]-1,4-oxazepan-6-carbonsäure [German] [ACD/IUPAC Name]
4-[(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinyl)sulfonyl]-1,4-oxazepane-6-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(1,3-diméthyl-2,4-dioxo-1,2,3,4-tétrahydro-6-quinazolinyl)sulfonyl]-1,4-oxazépane-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 660.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.0±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 267.7±3.0 cm3

Click to predict properties on the Chemicalize site


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