ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{5-[(4-methyl-3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl}ethyl)carbamate | C17H20N6O7S

2-Methyl-2-propanyl (1-{5-[(4-methyl-3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl}ethyl)carbamate

  • Molecular FormulaC17H20N6O7S
  • Average mass452.442 Da
  • Monoisotopic mass452.111420 Da
  • ChemSpider ID67480536

More details:

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

(1-{5-[(4-Méthyl-3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl}éthyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{5-[(4-methyl-3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl}ethyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{5-[(4-methyl-3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl}ethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[5-[(4-methyl-3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 1.631
Molar Refractivity: 111.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.79
ACD/KOC (pH 5.5): 788.26
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 31.28
ACD/KOC (pH 7.4): 312.92
Polar Surface Area: 213 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 312.6±3.0 cm3

Click to predict properties on the Chemicalize site


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