ChemSpider 2D Image | Dasolampanel | C17H20ClN5O3

Dasolampanel

  • Molecular FormulaC17H20ClN5O3
  • Average mass377.825 Da
  • Monoisotopic mass377.125458 Da
  • ChemSpider ID25948207
  • 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-Chlor-2-(1H-tetrazol-5-yl)phenoxy]decahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
(3S,4aS,6S,8aR)-6-[3-Chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
1P85D6BE9K
3-Isoquinolinecarboxylic acid, 6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydro-, (3S,4aS,6S,8aR)- [ACD/Index Name]
503294-13-1 [RN]
9436
Acide (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tétrazol-5-yl)phénoxy]décahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
Dasolampanel [INN] [USAN]
Dasolampanel [Spanish] [INN]
Dasolampanel [French] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 642.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.2±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 271.4±3.0 cm3

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