Found 1 result

Search term: DQPDUJDTFYTAKL-UXHICEINSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Cyclohexyl-D-alanyl-N-[5-chloro-2-(hydroxymethyl)benzyl]-L-prolinamide | C22H32ClN3O3

3-Cyclohexyl-D-alanyl-N-[5-chloro-2-(hydroxymethyl)benzyl]-L-prolinamide

  • Molecular FormulaC22H32ClN3O3
  • Average mass421.961 Da
  • Monoisotopic mass421.213226 Da
  • ChemSpider ID61711183

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Cyclohexyl-D-alanyl-N-[5-chlor-2-(hydroxymethyl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
3-Cyclohexyl-D-alanyl-N-[5-chloro-2-(hydroxymethyl)benzyl]-L-prolinamide [ACD/IUPAC Name]
3-Cyclohexyl-D-alanyl-N-[5-chloro-2-(hydroxyméthyl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, 3-cyclohexyl-D-alanyl-N-[[5-chloro-2-(hydroxymethyl)phenyl]methyl]- [ACD/Index Name]
(2{s})-1-[(2{r})-2-Azanyl-3-Cyclohexyl-Propanoyl]-~{n}-[[5-Chloranyl-2-(Hydroxymethyl)phenyl]methyl]pyrrolidine-2-Carboxamide
6TH

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.1±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 7.00
ACD/KOC (pH 7.4): 67.16
Polar Surface Area: 96 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 340.6±3.0 cm3

Click to predict properties on the Chemicalize site


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