ChemSpider 2D Image | (4R)-1-[(3-Cyanophenyl)sulfonyl]-4-(3,3-difluoro-1-piperidinyl)-L-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine | C32H30Cl2F2N6O6S

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

  • Molecular FormulaC32H30Cl2F2N6O6S
  • Average mass735.585 Da
  • Monoisotopic mass734.129272 Da
  • ChemSpider ID24630012

  • 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-(3,3-difluoro-1-piperidinyl)-L-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine [ACD/IUPAC Name]
(4R)-1-[(3-Cyanophényl)sulfonyl]-4-(3,3-difluoro-1-pipéridinyl)-L-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phénylalanine [French] [ACD/IUPAC Name]
(4R)-1-[(3-Cyanphenyl)sulfonyl]-4-(3,3-difluor-1-piperidinyl)-L-prolyl-4-[(3,5-dichlorisonicotinoyl)amino]-L-phenylalanin [German] [ACD/IUPAC Name]
L-Phenylalanine, (4R)-1-[(3-cyanophenyl)sulfonyl]-4-(3,3-difluoro-1-piperidinyl)-L-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: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 174.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.64
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 467.9±5.0 cm3

Click to predict properties on the Chemicalize site


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