Found 163 results

Search term: MF = 'C_{23}H_{27}N_{3}O_{8}S'
ChemSpider 2D Image | 2-{[(2,4-Dimethylphenyl)carbamoyl]amino}-2-oxoethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-beta-alaninate | C23H27N3O8S

2-{[(2,4-Dimethylphenyl)carbamoyl]amino}-2-oxoethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-β-alaninate

  • Molecular FormulaC23H27N3O8S
  • Average mass505.541 Da
  • Monoisotopic mass505.151886 Da
  • ChemSpider ID1899927

More details:

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

2-{[(2,4-Dimethylphenyl)carbamoyl]amino}-2-oxoethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-β-alaninate [ACD/IUPAC Name]
2-{[(2,4-Dimethylphenyl)carbamoyl]amino}-2-oxoethyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(3,4-Dihydro-2H-1,5-benzodioxépin-7-ylsulfonyl)-β-alaninate de 2-{[(2,4-diméthylphényl)carbamoyl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-, 2-[[[(2,4-dimethylphenyl)amino]carbonyl]amino]-2-oxoethyl ester [ACD/Index Name]

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

ZINC03433502 [DBID]

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: 1.591
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 238.58
ACD/KOC (pH 5.5): 1751.67
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.98
ACD/KOC (pH 7.4): 1681.18
Polar Surface Area: 158 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 372.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement