ChemSpider 2D Image | N-(4-Hydroxyphenyl)-3-(6-{[(3S)-3-(4-morpholinylmethyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-1,3-benzodioxol-5-yl)-N-phenyl-5,6,7,8-tetrahydro-1-indolizinecarboxamide | C43H42N4O6

N-(4-Hydroxyphenyl)-3-(6-{[(3S)-3-(4-morpholinylmethyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-1,3-benzodioxol-5-yl)-N-phenyl-5,6,7,8-tetrahydro-1-indolizinecarboxamide

  • Molecular FormulaC43H42N4O6
  • Average mass710.817 Da
  • Monoisotopic mass710.310425 Da
  • ChemSpider ID71061435

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1448584-12-0 [RN]
1-Indolizinecarboxamide, 3-[6-[[(3S)-3,4-dihydro-3-(4-morpholinylmethyl)-2(1H)-isoquinolinyl]carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydro-N-(4-hydroxyphenyl)-N-phenyl- [ACD/Index Name]
N-(4-Hydroxyphenyl)-3-(6-{[(3S)-3-(4-morpholinylmethyl)-3,4-dihydro-2(1H)-isochinolinyl]carbonyl}-1,3-benzodioxol-5-yl)-N-phenyl-5,6,7,8-tetrahydro-1-indolizincarboxamid [German] [ACD/IUPAC Name]
N-(4-Hydroxyphényl)-3-(6-{[(3S)-3-(4-morpholinylméthyl)-3,4-dihydro-2(1H)-isoquinoléinyl]carbonyl}-1,3-benzodioxol-5-yl)-N-phényl-5,6,7,8-tétrahydro-1-indolizinecarboxamide [French] [ACD/IUPAC Name]
N-(4-Hydroxyphenyl)-3-(6-{[(3S)-3-(4-morpholinylmethyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-1,3-benzodioxol-5-yl)-N-phenyl-5,6,7,8-tetrahydro-1-indolizinecarboxamide [ACD/IUPAC Name]
N-(4-hydroxyphenyl)-3-{6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2H-1,3-benzodioxol-5-yl}-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
N-(4-hydroxyphenyl)-3-{6-[(3S)-3-[(morpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-2H-1,3-benzodioxol-5-yl}-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
1448525-91-4 [RN]
N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
S55746
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.696
Molar Refractivity: 200.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 174.90
ACD/KOC (pH 5.5): 578.37
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3087.54
ACD/KOC (pH 7.4): 10210.38
Polar Surface Area: 97 Å2
Polarizability: 79.4±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 520.8±7.0 cm3

Click to predict properties on the Chemicalize site


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