ChemSpider 2D Image | 4-(3-Methyl-1,2,4-thiadiazol-5-yl)-N-(1-oxidotetrahydro-3-thiophenyl)-1,4-diazepane-1-carboxamide | C13H21N5O2S2

4-(3-Methyl-1,2,4-thiadiazol-5-yl)-N-(1-oxidotetrahydro-3-thiophenyl)-1,4-diazepane-1-carboxamide

  • Molecular FormulaC13H21N5O2S2
  • Average mass343.468 Da
  • Monoisotopic mass343.113678 Da
  • ChemSpider ID64091171

More details:

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

1H-1,4-Diazepine-1-carboxamide, hexahydro-4-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(tetrahydro-1-oxido-3-thienyl)- [ACD/Index Name]
4-(3-Methyl-1,2,4-thiadiazol-5-yl)-N-(1-oxidotetrahydro-3-thiophenyl)-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
4-(3-Methyl-1,2,4-thiadiazol-5-yl)-N-(1-oxidotetrahydro-3-thiophenyl)-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-(3-Méthyl-1,2,4-thiadiazol-5-yl)-N-(1-oxydotétrahydro-3-thiophényl)-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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.90
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.75
Polar Surface Area: 126 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 236.8±5.0 cm3

Click to predict properties on the Chemicalize site


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