ChemSpider 2D Image | Dasolampanel etibutil | C23H32ClN5O3

Dasolampanel etibutil

  • Molecular FormulaC23H32ClN5O3
  • Average mass461.985 Da
  • Monoisotopic mass461.219360 Da
  • ChemSpider ID28528993

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4aS,6S,8aR)-6-[3-Chloro-2-(1H-tétrazol-5-yl)phénoxy]décahydro-3-isoquinoléinecarboxylate de 2-éthylbutyle [French] [ACD/IUPAC Name]
2-Ethylbutyl (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydro-3-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Ethylbutyl-(3S,4aS,6S,8aR)-6-[3-chlor-2-(1H-tetrazol-5-yl)phenoxy]decahydro-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydro-, 2-ethylbutyl ester, (3S,4aS,6S,8aR)- [ACD/Index Name]
503291-52-9 [RN]
Dasolampanel etibutil [USAN]
2-ethylbutyl (3S,4aS,6S,8aR)-6-[3-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate
503291-52-9 (etibutil)

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

M7BFC308LR [DBID]
UNII:M7BFC308LR [DBID]
UNII-M7BFC308LR [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.9±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 6.41
ACD/KOC (pH 5.5): 25.52
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 6.67
ACD/KOC (pH 7.4): 26.57
Polar Surface Area: 102 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 379.7±3.0 cm3

Click to predict properties on the Chemicalize site


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