ChemSpider 2D Image | 4-{4-[Methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-1-piperidinyl}-N-[(3S)-2-oxo-3-azepanyl]benzamide | C27H37N5O2S

4-{4-[Methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-1-piperidinyl}-N-[(3S)-2-oxo-3-azepanyl]benzamide

  • Molecular FormulaC27H37N5O2S
  • Average mass495.680 Da
  • Monoisotopic mass495.266785 Da
  • ChemSpider ID23040481

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{4-[Methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-1-piperidinyl}-N-[(3S)-2-oxo-3-azepanyl]benzamid [German] [ACD/IUPAC Name]
4-{4-[Methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-1-piperidinyl}-N-[(3S)-2-oxo-3-azepanyl]benzamide [ACD/IUPAC Name]
4-{4-[Méthyl(4,5,6,7-tétrahydro-1,3-benzothiazol-2-ylméthyl)amino]-1-pipéridinyl}-N-[(3S)-2-oxo-3-azépanyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-4-[4-[methyl[(4,5,6,7-tetrahydro-2-benzothiazolyl)methyl]amino]-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 763.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.6±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 22.91
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 37.60
ACD/KOC (pH 7.4): 433.00
Polar Surface Area: 106 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 390.8±5.0 cm3

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