ChemSpider 2D Image | Benzyl 4-{2-[{[4-(2-aminoethoxy)phenyl]sulfonyl}(methyl)amino]-3-(4-methoxyphenyl)propyl}-1-piperazinecarboxylate | C31H40N4O6S

Benzyl 4-{2-[{[4-(2-aminoethoxy)phenyl]sulfonyl}(methyl)amino]-3-(4-methoxyphenyl)propyl}-1-piperazinecarboxylate

  • Molecular FormulaC31H40N4O6S
  • Average mass596.737 Da
  • Monoisotopic mass596.266846 Da
  • ChemSpider ID2343178

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[[4-(2-aminoethoxy)phenyl]sulfonyl]methylamino]-3-(4-methoxyphenyl)propyl]-, phenylmethyl ester [ACD/Index Name]
4-{2-[{[4-(2-Aminoéthoxy)phényl]sulfonyl}(méthyl)amino]-3-(4-méthoxyphényl)propyl}-1-pipérazinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 4-{2-[{[4-(2-aminoethoxy)phenyl]sulfonyl}(methyl)amino]-3-(4-methoxyphenyl)propyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Benzyl-4-{2-[{[4-(2-aminoethoxy)phenyl]sulfonyl}(methyl)amino]-3-(4-methoxyphenyl)propyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
118998-51-9 [RN]
benzyl 4-[2-[[4-(2-aminoethoxy)phenyl]sulfonyl-methylamino]-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate
BENZYL 4-[3-(4-METHOXYPHENYL)-2-[N-METHYL4-(2-AMINOETHOXY)BENZENESULFONAMIDO]PROPYL]PIPERAZINE-1-CARBOXYLATE
p-(2-Aminoethyloxy)-N-(2-(4-benzyloxycarbonylpiperazinyl)-1-(p-methoxybenzyl)ethyl)-N-methylbenzenesulfonamide dihydrochloride

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

W 77 [DBID]
W-77 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.5±35.7 °C
Index of Refraction: 1.598
Molar Refractivity: 163.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.32
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 95.42
ACD/KOC (pH 7.4): 520.17
Polar Surface Area: 123 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 480.2±3.0 cm3

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