ChemSpider 2D Image | ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE | C31H35N5O5

ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE

  • Molecular FormulaC31H35N5O5
  • Average mass557.640 Da
  • Monoisotopic mass557.263794 Da
  • ChemSpider ID5257040

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2R)-1-{5-[4-(2,3-Dihydro-1H-indén-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}-1-oxo-4-[(3R)-3-pyrrolidinyl]-2-butanyl}carbamate d'allyle [French] [ACD/IUPAC Name]
ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE
Allyl {(2R)-1-{5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}-1-oxo-4-[(3R)-3-pyrrolidinyl]-2-butanyl}carbamate [ACD/IUPAC Name]
Allyl-{(2R)-1-{5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}-1-oxo-4-[(3R)-3-pyrrolidinyl]-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-[[5-[[4-[[(2,3-dihydro-1H-inden-2-yl)amino]carbonyl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]carbonyl]-3-[(3R)-3-pyrrolidinyl]propyl]-, 2-propen-1-yl ester [ACD/Index Name]
C3a

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.71
Polar Surface Area: 135 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 430.4±5.0 cm3

Click to predict properties on the Chemicalize site


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