Found 99 results

Search term: MF = 'C_{29}H_{31}N_{7}O_{4}S'
ChemSpider 2D Image | N-(Benzylsulfonyl)-D-phenylalanyl-N-(2,4-diamino-6-quinazolinyl)-L-prolinamide | C29H31N7O4S

N-(Benzylsulfonyl)-D-phenylalanyl-N-(2,4-diamino-6-quinazolinyl)-L-prolinamide

  • Molecular FormulaC29H31N7O4S
  • Average mass573.666 Da
  • Monoisotopic mass573.215820 Da
  • ChemSpider ID8457022

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Prolinamide, N-[(phenylmethyl)sulfonyl]-D-phenylalanyl-N-(2,4-diamino-6-quinazolinyl)- [ACD/Index Name]
N-(Benzylsulfonyl)-D-phenylalanyl-N-(2,4-diamino-6-chinazolinyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-phenylalanyl-N-(2,4-diamino-6-quinazolinyl)-L-prolinamide [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-phénylalanyl-N-(2,4-diamino-6-quinazolinyl)-L-prolinamide [French] [ACD/IUPAC Name]

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: 1.712
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.97
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 11.49
ACD/KOC (pH 7.4): 132.11
Polar Surface Area: 182 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 399.4±3.0 cm3

Click to predict properties on the Chemicalize site


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