ChemSpider 2D Image | (3R)-1'-[3-(Dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione | C28H33N3O5

(3R)-1'-[3-(Dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione

  • Molecular FormulaC28H33N3O5
  • Average mass491.579 Da
  • Monoisotopic mass491.242035 Da
  • ChemSpider ID62576496

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1'-[3-(Dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dion [German] [ACD/IUPAC Name]
(3R)-1'-[3-(Dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione [ACD/IUPAC Name]
(3R)-1'-[3-(Diméthylamino)propyl]-3'-(4-éthoxybenzoyl)-4'-hydroxy-1-propylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione [French] [ACD/IUPAC Name]
(3R)-1'-[3-(Dimethylammonio)propyl]-3'-(4-ethoxybenzoyl)-2,5'-dioxo-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrol]-4'-olat [German] [ACD/IUPAC Name]
(3R)-1'-[3-(Dimethylammonio)propyl]-3'-(4-ethoxybenzoyl)-2,5'-dioxo-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrol]-4'-olate [ACD/IUPAC Name]
(3R)-1'-[3-(Diméthylammonio)propyl]-3'-(4-éthoxybenzoyl)-2,5'-dioxo-1-propyl-1,1',2,5'-tétrahydrospiro[indole-3,2'-pyrrol]-4'-olate [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,2'-[2H]pyrrole]-1'(5'H)-propanaminium, 3'-(4-ethoxybenzoyl)-1,2-dihydro-4'-hydroxy-N,N-dimethyl-2,5'-dioxo-1-propyl-, inner salt, (3R)- [ACD/Index Name]
Spiro[3H-indole-3,2'-[2H]pyrrole]-2,5'(1'H,1H)-dione, 1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propyl-, (3R)- [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: 734.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 397.9±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.74
Polar Surface Area: 90 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 378.3±5.0 cm3

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