ChemSpider 2D Image | (2S)-3-Cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(1,3-thiazol-2-yl)propanamide | C20H21FN4O3S

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

  • Molecular FormulaC20H21FN4O3S
  • Average mass416.469 Da
  • Monoisotopic mass416.131836 Da
  • ChemSpider ID29406401

  • 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-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl)-N-(1,3-thiazol-2-yl)propanamid [German] [ACD/IUPAC Name]
(2S)-3-Cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(1,3-thiazol-2-yl)propanamide [ACD/IUPAC Name]
(2S)-3-Cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(1,3-thiazol-2-yl)propanamide [French] [ACD/IUPAC Name]
(2s)-3-Cyclohexyl-2-(6-Fluoro-2,4-Dioxo-1,4-Dihydroquinazolin-3(2h)-Yl)-N-(1,3-Thiazol-2-Yl)propanamide
3(2H)-Quinazolineacetamide, α-(cyclohexylmethyl)-6-fluoro-1,4-dihydro-2,4-dioxo-N-2-thiazolyl-, (αS)- [ACD/Index Name]
1FX

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 106.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 672.34
ACD/KOC (pH 5.5): 3674.13
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 555.24
ACD/KOC (pH 7.4): 3034.20
Polar Surface Area: 120 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 298.8±3.0 cm3

Click to predict properties on the Chemicalize site


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