Found 16 results

Search term: MF = 'C_{37}H_{49}N_{7}O_{8}'
ChemSpider 2D Image | (17S,20R)-11-(1,3-Benzodioxol-5-ylacetyl)-17-[(2S)-2-butanyl]-2-(3,4-dimethoxybenzyl)-20-methyl-7,8,9,10,11,12,13,14,16,17,19,20-dodecahydro[1,2,4]triazolo[5,1-f][1,4,7,10,14]pentaazacyclooctadecine-6 ,15,18(5H)-trione | C37H49N7O8

(17S,20R)-11-(1,3-Benzodioxol-5-ylacetyl)-17-[(2S)-2-butanyl]-2-(3,4-dimethoxybenzyl)-20-methyl-7,8,9,10,11,12,13,14,16,17,19,20-dodecahydro[1,2,4]triazolo[5,1-f][1,4,7,10,14]pentaazacyclooctadecine-6 ,15,18(5H)-trione

  • Molecular FormulaC37H49N7O8
  • Average mass719.827 Da
  • Monoisotopic mass719.364258 Da
  • ChemSpider ID71276792

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(17S,20R)-11-(1,3-Benzodioxol-5-ylacetyl)-17-[(2S)-2-butanyl]-2-(3,4-dimethoxybenzyl)-20-methyl-7,8,9,10,11,12,13,14,16,17,19,20-dodecahydro[1,2,4]triazolo[5,1-f][1,4,7,10,14]pentaazacyclooctadecin-6, 15,18(5H)-trion [German] [ACD/IUPAC Name]
(17S,20R)-11-(1,3-Benzodioxol-5-ylacetyl)-17-[(2S)-2-butanyl]-2-(3,4-dimethoxybenzyl)-20-methyl-7,8,9,10,11,12,13,14,16,17,19,20-dodecahydro[1,2,4]triazolo[5,1-f][1,4,7,10,14]pentaazacyclooctadecine-6 ,15,18(5H)-trione [ACD/IUPAC Name]
(17S,20R)-11-[2-(1,3-Benzodioxol-5-yl)acétyl]-17-[(2S)-2-butanyl]-2-(3,4-diméthoxybenzyl)-20-méthyl-7,8,9,10,11,12,13,14,16,17,19,20-dodécahydro[1,2,4]triazolo[5,1-f][1,4,7,10,14]pentaazacyclooctadéci ne-6,15,18(5H)-trione [French] [ACD/IUPAC Name]
[1,2,4]Triazolo[5,1-f][1,4,7,10,14]pentaazacyclooctadecine-6,15,18(5H)-trione, 11-[2-(1,3-benzodioxol-5-yl)acetyl]-2-[(3,4-dimethoxyphenyl)methyl]-7,8,9,10,11,12,13,14,16,17,19,20-dodecahydro-20-methy l-17-[(1S)-1-methylpropyl]-, (17S,20R)- [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: 1.628
Molar Refractivity: 191.6±0.5 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.63
ACD/KOC (pH 5.5): 282.20
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.64
ACD/KOC (pH 7.4): 282.30
Polar Surface Area: 175 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 539.8±7.0 cm3

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