Found 128 results

Search term: MF = 'C_{14}H_{13}N_{5}O_{5}S'
ChemSpider 2D Image | 5-(2,1,3-Benzoxadiazol-4-ylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid | C14H13N5O5S

5-(2,1,3-Benzoxadiazol-4-ylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

  • Molecular FormulaC14H13N5O5S
  • Average mass363.349 Da
  • Monoisotopic mass363.063751 Da
  • ChemSpider ID29555429

More details:

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

4H-Pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid, 5-(2,1,3-benzoxadiazol-4-ylsulfonyl)-5,6,7,8-tetrahydro- [ACD/Index Name]
5-(2,1,3-Benzoxadiazol-4-ylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-carbonsäure [German] [ACD/IUPAC Name]
5-(2,1,3-Benzoxadiazol-4-ylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-(2,1,3-benzoxadiazol-4-ylsulfonyl)-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépine-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 672.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.4±34.3 °C
Index of Refraction: 1.811
Molar Refractivity: 86.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 87.6±7.0 dyne/cm
Molar Volume: 201.0±7.0 cm3

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