ChemSpider 2D Image | (2S)-N-(4-Isopropylphenyl)-2-{[(3aS,6S,6aR)-6-methyl-5-oxo-4-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl}-1-pyrrolidinecarboxamide | C30H42N4O4

(2S)-N-(4-Isopropylphenyl)-2-{[(3aS,6S,6aR)-6-methyl-5-oxo-4-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl}-1-pyrrolidinecarboxamide

  • Molecular FormulaC30H42N4O4
  • Average mass522.679 Da
  • Monoisotopic mass522.320618 Da
  • ChemSpider ID446060

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-N-(4-Isopropylphenyl)-2-{[(3aS,6S,6aR)-6-methyl-5-oxo-4-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl}-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-(4-Isopropylphenyl)-2-{[(3aS,6S,6aR)-6-methyl-5-oxo-4-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl}-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
(2S)-N-(4-Isopropylphényl)-2-{[(3aS,6S,6aR)-6-méthyl-5-oxo-4-[(2,2,3,3-tétraméthylcyclopropyl)carbonyl]hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl}-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxamide, 2-[[(3aS,6S,6aR)-hexahydro-6-methyl-5-oxo-4-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]pyrrolo[3,2-b]pyrrol-1(2H)-yl]carbonyl]-N-[4-(1-methylethyl)phenyl]-, (2S)- [ACD/Index Name]
(S)-2-[(3aS,6S,6aR)-6-Methyl-5-oxo-4-(2,2,3,3-tetramethyl-cyclopropanecarbonyl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl]-pyrrolidine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CHEMBL336909
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL336909/

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

AIDS185114 [DBID]
AIDS-185114 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 711.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2601.00
ACD/KOC (pH 5.5): 9686.15
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2601.04
ACD/KOC (pH 7.4): 9686.28
Polar Surface Area: 90 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 434.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement