ChemSpider 2D Image | (6S)-6-Benzyl-1'-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-4H,7H-spiro[5,8,12,13,14-pentaazabicyclo[10.2.1]pentadeca-1(15),13-diene-3,4'-piperidine]-4,7-dione | C28H35N7O3S

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

  • Molecular FormulaC28H35N7O3S
  • Average mass549.688 Da
  • Monoisotopic mass549.252197 Da
  • ChemSpider ID62731200

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-Benzyl-1'-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-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'-[(2-ethyl-4-methyl-5-thiazolyl)carbonyl]-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: 1.699
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.24
ACD/KOC (pH 5.5): 128.93
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.25
ACD/KOC (pH 7.4): 129.23
Polar Surface Area: 150 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 395.1±7.0 cm3

Click to predict properties on the Chemicalize site


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