Basic information
- Standard SMILES
CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4cccc(F)c4)c32)c1CCCN1CCN(C)CC1- InChIKey
OJQUTFZAUFDLMV-UHFFFAOYSA-N- Molecular formula
- C31H35FN4O3
- Average molar mass
- 530.6 g/mol
- Monoisotopic mass
- 530.26931915
Names & identifiers
- Preferred name
- 5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-[[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylate
Names & synonyms
SCHEMBL6319782OJQUTFZAUFDLMV-UHFFFAOYSA-N5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1 H-pyrrole-3-carboxylic acid ethyl ester5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69740755
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 891
Related reactions
2 records
Compound notes
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