Found 163 results

Search term: MF = 'C_{23}H_{27}N_{3}O_{8}S'
ChemSpider 2D Image | 2-{[3-(1-Azepanylsulfonyl)-4-methylphenyl]amino}-2-oxoethyl 4-methoxy-3-nitrobenzoate | C23H27N3O8S

2-{[3-(1-Azepanylsulfonyl)-4-methylphenyl]amino}-2-oxoethyl 4-methoxy-3-nitrobenzoate

  • Molecular FormulaC23H27N3O8S
  • Average mass505.541 Da
  • Monoisotopic mass505.151886 Da
  • ChemSpider ID4362115

More details:

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

2-{[3-(1-Azepanylsulfonyl)-4-methylphenyl]amino}-2-oxoethyl 4-methoxy-3-nitrobenzoate [ACD/IUPAC Name]
2-{[3-(1-Azepanylsulfonyl)-4-methylphenyl]amino}-2-oxoethyl-4-methoxy-3-nitrobenzoat [German] [ACD/IUPAC Name]
4-Méthoxy-3-nitrobenzoate de 2-{[3-(1-azépanylsulfonyl)-4-méthylphényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-3-nitro-, 2-[[3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methylphenyl]amino]-2-oxoethyl 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: 1.599
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 334.59
ACD/KOC (pH 5.5): 2231.80
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 334.58
ACD/KOC (pH 7.4): 2231.74
Polar Surface Area: 156 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 370.0±3.0 cm3

Click to predict properties on the Chemicalize site


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