ChemSpider 2D Image | Nintedanib | C31H33N5O4


  • Molecular FormulaC31H33N5O4
  • Average mass539.625 Da
  • Monoisotopic mass539.253235 Da
  • ChemSpider ID7985471
  • Double-bond stereo - Double-bond stereo

More details:

Featured data source

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

(3Z)-3-{[(4-{Méthyl[2-(4-méthyl-1-pipérazinyl)acétyl]amino}phényl)amino](phényl)méthylène}-2-oxo-6-indolinecarboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)- [ACD/Index Name]
3-[[4-[methyl-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid methyl ester
656247-17-5 [RN]
Methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate [ACD/IUPAC Name]
Methyl-(3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylen}-2-oxo-6-indolincarboxylat [German] [ACD/IUPAC Name]
Nintedanib [Spanish] [INN]
Nintédanib [French] [INN]
Nintedanibum [Latin] [INN]

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

9229 [DBID]
BIBF 1120 [DBID]
BIBF-1120 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 742.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.7±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.48
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 37.60
ACD/KOC (pH 7.4): 376.90
Polar Surface Area: 94 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 420.1±3.0 cm3

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