ChemSpider 2D Image | (14R)-20-[(3-Butyryl-1H-indol-1-yl)acetyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.0~6,11~]pentacosa-6,8,10,22(25),23-pentaene-12,15-dione | C34H41N7O5

(14R)-20-[(3-Butyryl-1H-indol-1-yl)acetyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaene-12,15-dione

  • Molecular FormulaC34H41N7O5
  • Average mass627.733 Da
  • Monoisotopic mass627.316895 Da
  • ChemSpider ID71344527

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(14R)-20-[(3-Butyryl-1H-indol-1-yl)acetyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaen-12,15-dion [German] [ACD/IUPAC Name]
(14R)-20-[(3-Butyryl-1H-indol-1-yl)acetyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaene-12,15-dione [ACD/IUPAC Name]
(14R)-20-[2-(3-Butyryl-1H-indol-1-yl)acétyl]-8,14-diméthyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaène-12,15-dione [French] [ACD/IUPAC Name]
5,8-Metheno-2H-1,5,6,7,10,14,17-benzoxahexaazacycloeicosine-15,18-dione, 3,4,9,10,11,12,13,14,16,17-decahydro-16,21-dimethyl-10-[2-[3-(1-oxobutyl)-1H-indol-1-yl]acetyl]-, (16R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 174.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.98
ACD/KOC (pH 5.5): 296.90
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.98
ACD/KOC (pH 7.4): 296.90
Polar Surface Area: 140 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 480.3±7.0 cm3

Click to predict properties on the Chemicalize site


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