ChemSpider 2D Image | (6S)-6-Benzyl-1'-(5-chloro-2-hydroxybenzoyl)-4H,7H-spiro[5,8,12,13,14-pentaazabicyclo[10.2.1]pentadeca-1(15),13-diene-3,4'-piperidine]-4,7-dione | C28H31ClN6O4

(6S)-6-Benzyl-1'-(5-chloro-2-hydroxybenzoyl)-4H,7H-spiro[5,8,12,13,14-pentaazabicyclo[10.2.1]pentadeca-1(15),13-diene-3,4'-piperidine]-4,7-dione

  • Molecular FormulaC28H31ClN6O4
  • Average mass551.036 Da
  • Monoisotopic mass550.209534 Da
  • ChemSpider ID62731649

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-Benzyl-1'-(5-chloro-2-hydroxybenzoyl)-4H,7H-spiro[5,8,12,13,14-pentaazabicyclo[10.2.1]pentadeca-1(15),13-diene-3,4'-piperidine]-4,7-dione [ACD/IUPAC Name]
Spiro[1,5,8,13,14-pentaazabicyclo[10.2.1]pentadeca-12(15),13-diene-10,4'-piperidine]-6,9-dione, 1'-(5-chloro-2-hydroxybenzoyl)-7-(phenylmethyl)-, (7S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.17
ACD/KOC (pH 5.5): 809.09
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 66.09
ACD/KOC (pH 7.4): 658.80
Polar Surface Area: 129 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 384.3±7.0 cm3

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