ChemSpider 2D Image | 2-Methyl-2-propanyl 5-(1-acetyl-4-piperidinyl)-1-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}phenyl)carbamoyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate | C33H43N3O6

2-Methyl-2-propanyl 5-(1-acetyl-4-piperidinyl)-1-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}phenyl)carbamoyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate

  • Molecular FormulaC33H43N3O6
  • Average mass577.711 Da
  • Monoisotopic mass577.315186 Da
  • ChemSpider ID37999415

More details:

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

2(1H)-Isoquinolinecarboxylic acid, 5-(1-acetyl-4-piperidinyl)-1-[[[4-[(1,1-dimethylethoxy)carbonyl]phenyl]amino]carbonyl]-3,4-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-(1-acetyl-4-piperidinyl)-1-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}phenyl)carbamoyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-(1-acetyl-4-piperidinyl)-1-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}phenyl)carbamoyl]-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
5-(1-Acétyl-4-pipéridinyl)-1-[(4-{[(2-méthyl-2-propanyl)oxy]carbonyl}phényl)carbamoyl]-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1430563-96-4 [RN]
tert-butyl 5-(1-acetylpiperidin-4-yl)-1-(4-(tert-butoxycarbonyl)phenylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 746.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.2±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 10953.16
ACD/KOC (pH 5.5): 27107.61
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10953.15
ACD/KOC (pH 7.4): 27107.58
Polar Surface Area: 105 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 484.1±3.0 cm3

Click to predict properties on the Chemicalize site


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