ChemSpider 2D Image | (6S,7S)-6-(4-Methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol | C19H17NO2S

(6S,7S)-6-(4-Methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol

  • Molecular FormulaC19H17NO2S
  • Average mass323.409 Da
  • Monoisotopic mass323.097992 Da
  • ChemSpider ID62878632
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6S,7S)-6-(4-Methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol [German] [ACD/IUPAC Name]
(6S,7S)-6-(4-Methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol [ACD/IUPAC Name]
(6S,7S)-6-(4-Méthoxyphényl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazépin-7-ol [French] [ACD/IUPAC Name]
131403-79-7 [RN]
Pyrrolo[2,1-d][1,5]benzothiazepin-7-ol, 6,7-dihydro-6-(4-methoxyphenyl)-, (6S,7S)- [ACD/Index Name]
Pyrrolo[2,1-d][1,5]benzothiazepin-7-ol, 6,7-dihydro-6-(4-methoxyphenyl)-, cis-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 517.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 266.5±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 505.86
ACD/KOC (pH 5.5): 3000.18
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 505.86
ACD/KOC (pH 7.4): 3000.18
Polar Surface Area: 60 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 252.6±7.0 cm3

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