ChemSpider 2D Image | N-[2-(2-Carbamoylmethoxy-Ethoxy)-Ethyl]-2-[2-(4-Chloro-Phenylsulfanyl)-Acetylamino]-3-(4-Guanidino-Phenyl)-Propionamide | C24H31ClN6O5S

N-[2-(2-Carbamoylmethoxy-Ethoxy)-Ethyl]-2-[2-(4-Chloro-Phenylsulfanyl)-Acetylamino]-3-(4-Guanidino-Phenyl)-Propionamide

  • Molecular FormulaC24H31ClN6O5S
  • Average mass551.058 Da
  • Monoisotopic mass550.176514 Da
  • ChemSpider ID10131637

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenepropanamide, N-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethyl]-α-[[2-[(4-chlorophenyl)thio]acetyl]amino]-4-[(diaminomethylene)amino]-, (αS)- [ACD/Index Name]
N-[2-(2-Carbamoylmethoxy-Ethoxy)-Ethyl]-2-[2-(4-Chloro-Phenylsulfanyl)-Acetylamino]-3-(4-Guanidino-Phenyl)-Propionamide
N-{2-[2-(2-Amino-2-oxoethoxy)ethoxy]ethyl}-Nα-{[(4-chlorophenyl)sulfanyl]acetyl}-4-[(diaminomethylene)amino]-L-phenylalaninamide [ACD/IUPAC Name]
N-{2-[2-(2-Amino-2-oxoethoxy)ethoxy]ethyl}-Nα-{[(4-chlorphenyl)sulfanyl]acetyl}-4-[(diaminomethylen)amino]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{2-[2-(2-Amino-2-oxoéthoxy)éthoxy]éthyl}-Nα-{2-[(4-chlorophényl)sulfanyl]acétyl}-4-[(diaminométhylène)amino]-L-phénylalaninamide [French] [ACD/IUPAC Name]
2CE

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: 1.632
Molar Refractivity: 140.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 394.5±7.0 cm3

Click to predict properties on the Chemicalize site


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