ChemSpider 2D Image | (1-{4-[(7s,11s)-12-Amino-3-Chloro-6,7,10,11-Tetrahydro-7,11-Methanocycloocta[b]quinolin-9-Yl]butyl}-1h-1,2,3-Triazol-4-Yl)methanol | C23H26ClN5O

(1-{4-[(7s,11s)-12-Amino-3-Chloro-6,7,10,11-Tetrahydro-7,11-Methanocycloocta[b]quinolin-9-Yl]butyl}-1h-1,2,3-Triazol-4-Yl)methanol

  • Molecular FormulaC23H26ClN5O
  • Average mass423.938 Da
  • Monoisotopic mass423.182587 Da
  • ChemSpider ID35036007

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1-{4-[(1S,13S)-3-Amino-7-chlor-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-15-yl]butyl}-1H-1,2,3-triazol-4-yl)methanol [German] [ACD/IUPAC Name]
(1-{4-[(1S,13S)-3-Amino-7-chloro-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-15-yl]butyl}-1H-1,2,3-triazol-4-yl)methanol [ACD/IUPAC Name]
(1-{4-[(1S,13S)-3-Amino-7-chloro-10-azatétracyclo[11.3.1.02,11.04,9]heptadéca-2(11),3,5,7,9,14-hexaén-15-yl]butyl}-1H-1,2,3-triazol-4-yl)méthanol [French] [ACD/IUPAC Name]
(1-{4-[(7s,11s)-12-Amino-3-Chloro-6,7,10,11-Tetrahydro-7,11-Methanocycloocta[b]quinolin-9-Yl]butyl}-1h-1,2,3-Triazol-4-Yl)methanol
1H-1,2,3-Triazole-4-methanol, 1-[4-[(7S,11S)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl]- [ACD/Index Name]
H34

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.7±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 116.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 7.42
ACD/KOC (pH 5.5): 36.51
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 258.23
ACD/KOC (pH 7.4): 1270.23
Polar Surface Area: 90 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 288.3±7.0 cm3

Click to predict properties on the Chemicalize site


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