ChemSpider 2D Image | (2S)-3-Cyclohexyl-2-(6-fluoro-4-oxo-3(4H)-quinazolinyl)-N-(1,3-thiazol-2-yl)propanamide | C20H21FN4O2S

(2S)-3-Cyclohexyl-2-(6-fluoro-4-oxo-3(4H)-quinazolinyl)-N-(1,3-thiazol-2-yl)propanamide

  • Molecular FormulaC20H21FN4O2S
  • Average mass400.470 Da
  • Monoisotopic mass400.136932 Da
  • ChemSpider ID29407086
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-3-Cyclohexyl-2-(6-fluor-4-oxo-3(4H)-chinazolinyl)-N-(1,3-thiazol-2-yl)propanamid [German] [ACD/IUPAC Name]
(2S)-3-Cyclohexyl-2-(6-fluoro-4-oxo-3(4H)-quinazolinyl)-N-(1,3-thiazol-2-yl)propanamide [ACD/IUPAC Name]
(2S)-3-Cyclohexyl-2-(6-fluoro-4-oxo-3(4H)-quinazolinyl)-N-(1,3-thiazol-2-yl)propanamide [French] [ACD/IUPAC Name]
(2s)-3-Cyclohexyl-2-(6-Fluoro-4-Oxoquinazolin-3(4h)-Yl)-N-(1,3-Thiazol-2-Yl)propanamide
3(4H)-Quinazolineacetamide, α-(cyclohexylmethyl)-6-fluoro-4-oxo-N-2-thiazolyl-, (αS)- [ACD/Index Name]
10.1016/j.bmcl.2013.01.093
1FW

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 618.74
ACD/KOC (pH 5.5): 3462.15
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 516.74
ACD/KOC (pH 7.4): 2891.41
Polar Surface Area: 103 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 277.2±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement