ChemSpider 2D Image | (19S,20Z)-19-Benzyl-8,24-dichloro-12-oxa-1,4,17,20,22-pentaazatricyclo[19.3.1.0~6,11~]pentacosa-6,8,10,20,23-pentaene-3,25-dione | C26H29Cl2N5O3

(19S,20Z)-19-Benzyl-8,24-dichloro-12-oxa-1,4,17,20,22-pentaazatricyclo[19.3.1.06,11]pentacosa-6,8,10,20,23-pentaene-3,25-dione

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID7982767
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(19S,20Z)-19-Benzyl-8,24-dichlor-12-oxa-1,4,17,20,22-pentaazatricyclo[19.3.1.06,11]pentacosa-6,8,10,20,23-pentaen-3,25-dion [German] [ACD/IUPAC Name]
(19S,20Z)-19-Benzyl-8,24-dichloro-12-oxa-1,4,17,20,22-pentaazatricyclo[19.3.1.06,11]pentacosa-6,8,10,20,23-pentaene-3,25-dione [ACD/IUPAC Name]
(19S,20Z)-19-Benzyl-8,24-dichloro-12-oxa-1,4,17,20,22-pentaazatricyclo[19.3.1.06,11]pentacosa-6,8,10,20,23-pentaène-3,25-dione [French] [ACD/IUPAC Name]
(8S)-8-benzyl-13,20-dichloro-2,3,4,5,6,7,8,9,17,18-decahydro-10,14-methano-1,6,9,11,14,17-benzoxapentaazacycloicosine-16,23(15H)-dione
10,14-Methano-14H-1,6,9,11,14,17-benzoxapentaazacycloeicosine-16,23(15H)-dione, 13,20-dichloro-2,3,4,5,6,7,8,11,17,18-decahydro-8-(phenylmethyl)-, (8S,9Z)- [ACD/Index Name]
(S)-19-Benzyl-8,24-dichloro-12-oxa-1,4,17,20,22-pentaaza-tricyclo[19.3.1.0*6,11*]pentacosa-6(11),7,9,21,23-pentaene-3,25-dione
CHEMBL316901

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.69
Polar Surface Area: 95 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 385.8±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement