ChemSpider 2D Image | (10S)-10-Isopropyl-14-[3-(4-oxo-3(4H)-quinazolinyl)propanoyl]-7-phenyl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.0~5,9~]tricosa-1(23),6,8,19,21-pentaene-12,18-dione | C36H38N8O5

(10S)-10-Isopropyl-14-[3-(4-oxo-3(4H)-quinazolinyl)propanoyl]-7-phenyl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.05,9]tricosa-1(23),6,8,19,21-pentaene-12,18-dione

  • Molecular FormulaC36H38N8O5
  • Average mass662.737 Da
  • Monoisotopic mass662.296509 Da
  • ChemSpider ID90303637

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10S)-10-Isopropyl-14-[3-(4-oxo-3(4H)-chinazolinyl)propanoyl]-7-phenyl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.05,9]tricosa-1(23),6,8,19,21-pentaen-12,18-dion [German] [ACD/IUPAC Name]
(10S)-10-Isopropyl-14-[3-(4-oxo-3(4H)-quinazolinyl)propanoyl]-7-phenyl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.05,9]tricosa-1(23),6,8,19,21-pentaene-12,18-dione [ACD/IUPAC Name]
(10S)-10-Isopropyl-14-[3-(4-oxo-3(4H)-quinazolinyl)propanoyl]-7-phényl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.05,9]tricosa-1(23),6,8,19,21-pentaène-12,18-dione [French] [ACD/IUPAC Name]
13H-12,8-Metheno[1,2,4]triazolo[1,5-d][1,4,7,10,13]oxatetraazacyclononadecine-13,19(14H)-dione, 5,6,15,16,17,18,20,21-octahydro-21-(1-methylethyl)-17-[1-oxo-3-(4-oxo-3(4H)-quinazolinyl)propyl]-2-pheny l-, (21S)- [ACD/Index Name]

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: 1.679
Molar Refractivity: 184.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.28
ACD/KOC (pH 5.5): 320.73
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.29
ACD/KOC (pH 7.4): 320.83
Polar Surface Area: 151 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 489.3±7.0 cm3

Click to predict properties on the Chemicalize site


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