Basic information
- Standard SMILES
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)NCCCN1CCCC1- InChIKey
YBHQXRPWMVTFQC-JWGURIENSA-N- Molecular formula
- C30H32Cl2N4O4S
- Average molar mass
- 615.6 g/mol
- Monoisotopic mass
- 614.1521321
Names & identifiers
- Preferred name
- 5-[5-(2,6-Dichloro-phenylmethanesulfonyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-Pyrrolidin-1-yl-propyl)-amide
- IUPAC
- 5-[(Z)-[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-3-carboxamide
Names & synonyms
SCHEMBL142619YBHQXRPWMVTFQC-JWGURIENSA-N5-[5-(2,6-Dichloro-phenylmethanesulfonyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-Pyrrolidin-1-yl-propyl)-amide
Database identifiers
- PubChem CID
- 59077697
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
1 records
Compound notes
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