ChemSpider 2D Image | (2S,3S)-5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl 4-azidobenzoate | C27H28N5O4S

(2S,3S)-5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl 4-azidobenzoate

  • Molecular FormulaC27H28N5O4S
  • Average mass517.599 Da
  • Monoisotopic mass517.178345 Da
  • ChemSpider ID2299739

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl 4-azidobenzoate [ACD/IUPAC Name]
(2S,3S)-5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl-4-azidobenzoat [German] [ACD/IUPAC Name]
(2S-cis)-5-(2-(Dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl 4-azidobenzoate
4-Azidobenzoate de (2S,3S)-5-[2-(diméthylamino)éthyl]-2-(4-méthoxyphényl)-4-oxo-2,3,4,5-tétrahydro-1,5-benzothiazépin-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-azido-, (2S,3S)-5-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl ester [ACD/Index Name]
128127-11-7 [RN]
3-(4-Azidobenzoyloxy)diltiazem
3-Abod
5-(2-(Dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl 4-azidobenzoate (2S-cis)-
Benzoic acid, 4-azido-, 5-(2-(dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl ester, (2S-cis)-

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

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 12.36
ACD/KOC (pH 5.5): 30.83
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 309.05
ACD/KOC (pH 7.4): 770.71
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

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