ChemSpider 2D Image | (10S)-14-[(3,5-Dimethyl-1H-pyrazol-1-yl)acetyl]-10-isopropyl-23-methoxy-7-methyl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.0~5,9~]tetracosa-1(24),6,8,20,22-pentaene-12,19-dione | C29H40N8O5

(10S)-14-[(3,5-Dimethyl-1H-pyrazol-1-yl)acetyl]-10-isopropyl-23-methoxy-7-methyl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.05,9]tetracosa-1(24),6,8,20,22-pentaene-12,19-dione

  • Molecular FormulaC29H40N8O5
  • Average mass580.679 Da
  • Monoisotopic mass580.312195 Da
  • ChemSpider ID114951159

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10S)-14-[(3,5-Dimethyl-1H-pyrazol-1-yl)acetyl]-10-isopropyl-23-methoxy-7-methyl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.05,9]tetracosa-1(24),6,8,20,22-pentaen-12,19-dion [German] [ACD/IUPAC Name]
(10S)-14-[(3,5-Dimethyl-1H-pyrazol-1-yl)acetyl]-10-isopropyl-23-methoxy-7-methyl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.05,9]tetracosa-1(24),6,8,20,22-pentaene-12,19-dione [ACD/IUPAC Name]
(10S)-14-[2-(3,5-Diméthyl-1H-pyrazol-1-yl)acétyl]-10-isopropyl-23-méthoxy-7-méthyl-2-oxa-5,6,8,11,14,18-hexaazatricyclo[18.3.1.05,9]tétracosa-1(24),6,8,20,22-pentaène-12,19-dione [French] [ACD/IUPAC Name]
12,8-Metheno-8H-[1,2,4]triazolo[1,5-d][1,4,7,10,14]oxatetraazacycloeicosine-13,20-dione, 18-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-5,6,14,15,16,17,18,19,21,22-decahydro-9-methoxy-2-methyl-22-(1-meth ylethyl)-, (22S)- [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: 1.634
Molar Refractivity: 157.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.28
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 74.34
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 74.58
Polar Surface Area: 146 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 440.0±7.0 cm3

Click to predict properties on the Chemicalize site


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