ChemSpider 2D Image | (R)-arotinolol | C15H21N3O2S3

(R)-arotinolol

  • Molecular FormulaC15H21N3O2S3
  • Average mass371.541 Da
  • Monoisotopic mass371.079590 Da
  • ChemSpider ID32809807

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-arotinolol
2-Thiophenecarboxamide, 5-[2-[[(2R)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]thio]-4-thiazolyl]- [ACD/Index Name]
5-[2-({(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propyl}sulfanyl)-1,3-thiazol-4-yl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-[2-({(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propyl}sulfanyl)-1,3-thiazol-4-yl]-2-thiophenecarboxamide [ACD/IUPAC Name]
5-[2-({(2R)-2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propyl}sulfanyl)-1,3-thiazol-4-yl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
92075-58-6 [RN]
68377-92-4 [RN]
Arotinolol [INN] [Wiki]
AROTINOLOL, (R)-
UNII-394E3P3B99

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

XPX8B11XKL [DBID]
UNII:XPX8B11XKL [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 599.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.6±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.79
Polar Surface Area: 170 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 274.0±5.0 cm3

Click to predict properties on the Chemicalize site


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