ChemSpider 2D Image | 2D08A509S3 | C29H37F5N4O6

2D08A509S3

  • Molecular FormulaC29H37F5N4O6
  • Average mass632.619 Da
  • Monoisotopic mass632.263306 Da
  • ChemSpider ID4451336
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(S)-mdl-101146
163660-59-1 [RN]
2D08A509S3
L-Prolinamide, N-[4-(4-morpholinylcarbonyl)benzoyl]-L-valyl-N-[(1S)-3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]- [ACD/Index Name]
N-[4-(4-Morpholinylcarbonyl)benzoyl]-L-valyl-N-[(3S)-5,5,6,6,6-pentafluor-2-methyl-4-oxo-3-hexanyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[4-(4-Morpholinylcarbonyl)benzoyl]-L-valyl-N-[(3S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxo-3-hexanyl]-L-prolinamide [ACD/IUPAC Name]
N-[4-(4-Morpholinylcarbonyl)benzoyl]-L-valyl-N-[(3S)-5,5,6,6,6-pentafluoro-2-méthyl-4-oxo-3-hexanyl]-L-prolinamide [French] [ACD/IUPAC Name]
(2S)-1-[(2S)-3-methyl-2-[(4-morpholin-4-ylcarbonylphenyl)carbonylamino]butanoyl]-N-[(3S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxo-hexan-3-yl]pyrrolidine-2-carboxamide
(2S)-1-[(2S)-3-methyl-2-[[[4-(morpholino-oxomethyl)phenyl]-oxomethyl]amino]-1-oxobutyl]-N-[(1S)-3,3,4,4,4-pentafluoro-1-isopropyl-2-oxobutyl]-2-pyrrolidinecarboxamide
(2S)-1-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-N-[(1S)-3,3,4,4,4-pentafluoro-1-isopropyl-2-keto-butyl]pyrrolidine-2-carboxamide
More...

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

Mdl 101146 [DBID]
RRT [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 778.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.8±32.9 °C
Index of Refraction: 1.514
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 139.14
ACD/KOC (pH 5.5): 1190.92
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 139.13
ACD/KOC (pH 7.4): 1190.92
Polar Surface Area: 125 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 486.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement