ChemSpider 2D Image | (4R)-1-[(3-Cyanophenyl)sulfonyl]-4-(cyclobutylamino)-D-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine | C31H30Cl2N6O6S

(4R)-1-[(3-Cyanophenyl)sulfonyl]-4-(cyclobutylamino)-D-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine

  • Molecular FormulaC31H30Cl2N6O6S
  • Average mass685.578 Da
  • Monoisotopic mass684.132446 Da
  • ChemSpider ID9379777

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-1-[(3-Cyanophenyl)sulfonyl]-4-(cyclobutylamino)-D-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine [ACD/IUPAC Name]
(4R)-1-[(3-Cyanophényl)sulfonyl]-4-(cyclobutylamino)-D-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phénylalanine [French] [ACD/IUPAC Name]
(4R)-1-[(3-Cyanphenyl)sulfonyl]-4-(cyclobutylamino)-D-prolyl-4-[(3,5-dichlorisonicotinoyl)amino]-L-phenylalanin [German] [ACD/IUPAC Name]
L-Phenylalanine, (4R)-1-[(3-cyanophenyl)sulfonyl]-4-(cyclobutylamino)-D-prolyl-4-[[(3,5-dichloro-4-pyridinyl)carbonyl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 169.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.59
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.50
Polar Surface Area: 190 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 443.6±5.0 cm3

Click to predict properties on the Chemicalize site


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