Basic information
- Standard SMILES
CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4ccccc4)c32)c1CCCN1CCN(C)CC1- InChIKey
HNIDAFQOCOGGNC-UHFFFAOYSA-N- Molecular formula
- C31H36N4O3
- Average molar mass
- 512.6 g/mol
Names & identifiers
- Preferred name
- 2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-5-(2-oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-[(2-oxo-4-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
Names & synonyms
SCHEMBL6319978HNIDAFQOCOGGNC-UHFFFAOYSA-N2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-5-(2 -oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1 H-pyrrole-3-carboxylic acid ethyl ester2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-5-(2-oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69740825
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 848
Related reactions
3 records
Compound notes
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