ChemSpider 2D Image | 3-(Diethylamino)propyl 4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfonyl)amino]-1-piperidinecarboxylate | C31H40N4O5S

3-(Diethylamino)propyl 4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfonyl)amino]-1-piperidinecarboxylate

  • Molecular FormulaC31H40N4O5S
  • Average mass580.738 Da
  • Monoisotopic mass580.271912 Da
  • ChemSpider ID17263694

More details:

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

1-Piperidinecarboxylic acid, 4-[[[4-[(2-methylbenzoyl)amino]-1-naphthalenyl]sulfonyl]amino]-, 3-(diethylamino)propyl ester [ACD/Index Name]
3-(Diethylamino)propyl 4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfonyl)amino]-1-piperidinecarboxylate [ACD/IUPAC Name]
3-(diethylamino)propyl 4-[({4-[(2-methylbenzoyl)amino]naphthalen-1-yl}sulfonyl)amino]piperidine-1-carboxylate
3-(Diethylamino)propyl-4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfonyl)amino]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[({4-[(2-Méthylbenzoyl)amino]-1-naphtyl}sulfonyl)amino]-1-pipéridinecarboxylate de 3-(diéthylamino)propyle [French] [ACD/IUPAC Name]
3-(diethylamino)propyl 4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfonyl)amino]piperidine-1-carboxylate
CHEMBL217984

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 162.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 5.90
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 4.64
ACD/KOC (pH 7.4): 19.43
Polar Surface Area: 116 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 454.1±5.0 cm3

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