ChemSpider 2D Image | Ivarimod | C30H44N2O5

Ivarimod

  • Molecular FormulaC30H44N2O5
  • Average mass512.681 Da
  • Monoisotopic mass512.325012 Da
  • ChemSpider ID16736655

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-Hydroxyethyl)-19-isopropyl-5,9-dimethyl-5-(4-morpholinylcarbonyl)-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-en-14,16-dion [German] [ACD/IUPAC Name]
(1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-Hydroxyethyl)-19-isopropyl-5,9-dimethyl-5-(4-morpholinylcarbonyl)-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione [ACD/IUPAC Name]
(1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-Hydroxyéthyl)-19-isopropyl-5,9-diméthyl-5-(4-morpholinylcarbonyl)-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadéc-18-ène-14,16-dione [French] [ACD/IUPAC Name]
(1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-Hydroxyethyl)-19-isopropyl-5,9-dimethyl-5-(morpholin-4-ylcarbonyl)-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione
191NHP88M6
3b,11-Etheno-3bH-naphth[2,1-e]isoindole-1,3(2H,4H)-dione, 3a,5,5a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-2-(2-hydroxyethyl)-6,9a-dimethyl-12-(1-methylethyl)-6-(4-morpholinylcarbonyl)-, (3aR,3bS,5aR,6R,9a R,9bR,11R,11aR)- [ACD/Index Name]
3b,11-etheno-3bH-naphth[2,1-e]isoindole-1,3(2H,4H)-dione, 3a,5,5a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-2-(2-hydroxyethyl)-6,9a-dimethyl-12-(1-methylethyl)-6-(4-morpholinylcarbonyl)-, (3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-
53003-81-9 [RN]
Ivarimod [INN]
N-(2-Hydroxyethyl)maleopimarimidyl Morpholide
More...

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

6324 [DBID]
RU 18492 [DBID]
RU-18492 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 694.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 373.9±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 857.43
ACD/KOC (pH 5.5): 4377.08
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 857.43
ACD/KOC (pH 7.4): 4377.08
Polar Surface Area: 87 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 410.9±5.0 cm3

Click to predict properties on the Chemicalize site


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