ChemSpider 2D Image | (4R)-1-(3-Amino-2-methylbenzoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide | C24H26N4O3S

(4R)-1-(3-Amino-2-methylbenzoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide

  • Molecular FormulaC24H26N4O3S
  • Average mass450.553 Da
  • Monoisotopic mass450.172546 Da
  • ChemSpider ID34258861
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2s,4r)-1-(3-Amino-2-Methylbenzoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)benzyl)pyrrolidine-2-Carboxamide
(4R)-1-(3-Amino-2-methylbenzoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-(3-Amino-2-methylbenzoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-1-(3-Amino-2-méthylbenzoyl)-4-hydroxy-N-[4-(4-méthyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (2S,4R)- [ACD/Index Name]
TG0

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

Density: 1.3±0.1 g/cm3
Boiling Point: 782.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 426.9±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.78
ACD/KOC (pH 5.5): 164.09
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.90
ACD/KOC (pH 7.4): 166.41
Polar Surface Area: 137 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

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