ChemSpider 2D Image | (20S)-20-Benzyl-25-chloro-1,4,14,18,21,23-hexaazatricyclo[20.3.1.0~6,11~]hexacosa-6,8,10,21,24-pentaene-3,26-dione | C27H33ClN6O2

(20S)-20-Benzyl-25-chloro-1,4,14,18,21,23-hexaazatricyclo[20.3.1.06,11]hexacosa-6,8,10,21,24-pentaene-3,26-dione

  • Molecular FormulaC27H33ClN6O2
  • Average mass509.043 Da
  • Monoisotopic mass508.235352 Da
  • ChemSpider ID4450795

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENICOSINE-3,24-DIONE
(20S)-20-Benzyl-25-chlor-1,4,14,18,21,23-hexaazatricyclo[20.3.1.06,11]hexacosa-6,8,10,21,24-pentaen-3,26-dion [German] [ACD/IUPAC Name]
(20S)-20-Benzyl-25-chloro-1,4,14,18,21,23-hexaazatricyclo[20.3.1.06,11]hexacosa-6,8,10,21,24-pentaene-3,26-dione [ACD/IUPAC Name]
(20S)-20-Benzyl-25-chloro-1,4,14,18,21,23-hexaazatricyclo[20.3.1.06,11]hexacosa-6,8,10,21,24-pentaène-3,26-dione [French] [ACD/IUPAC Name]
5,9-Methano-5H-2,5,8,10,13,17-benzohexaazacycloheneicosine-3,24(4H)-dione, 6-chloro-1,2,8,11,12,13,14,15,16,17,18,19-dodecahydro-11-(phenylmethyl)-, (11S)- [ACD/Index Name]
CHEMBL327421
COMPOUND 31
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL327421/
L86

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 142.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 390.8±7.0 cm3

Click to predict properties on the Chemicalize site


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