ChemSpider 2D Image | tibalosin | C21H27NOS

tibalosin

  • Molecular FormulaC21H27NOS
  • Average mass341.510 Da
  • Monoisotopic mass341.181335 Da
  • ChemSpider ID32701875

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-1-(2,3-Dihydro-1-benzothiophen-5-yl)-2-[(4-phenylbutyl)amino]-1-propanol [ACD/IUPAC Name]
(1S,2R)-1-(2,3-Dihydro-1-benzothiophen-5-yl)-2-[(4-phenylbutyl)amino]-1-propanol [German] [ACD/IUPAC Name]
(1S,2R)-1-(2,3-Dihydro-1-benzothiophén-5-yl)-2-[(4-phénylbutyl)amino]-1-propanol [French] [ACD/IUPAC Name]
(1S,2R)-Tibalosin
2H3X1M329K
63996-84-9 [RN]
Benzo[b]thiophene-5-methanol, 2,3-dihydro-α-[(1R)-1-[(4-phenylbutyl)amino]ethyl]-, (αS)- [ACD/Index Name]
tibalosin [INN]
UNII:2H3X1M329K
UNII-2H3X1M329K

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

5265 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 271.7±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 9.41
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 26.70
ACD/KOC (pH 7.4): 96.54
Polar Surface Area: 58 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 301.5±3.0 cm3

Click to predict properties on the Chemicalize site


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