Basic information
- Standard SMILES
Cc1c(C=C2C(=O)Nc3ccc(Cl)cc32)[nH]c2c1C(=O)N(CCN(C)C)CCC2- InChIKey
FOHKJPFDUFAAHB-UHFFFAOYSA-N- Molecular formula
- C22H25ClN4O2
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.1666037
Names & identifiers
- Preferred name
- 2-(5-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-5-(2-dimethylamino-ethyl)-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
- IUPAC
- 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-5-[2-(dimethylamino)ethyl]-3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one
Names & synonyms
SCHEMBL3140326FOHKJPFDUFAAHB-UHFFFAOYSA-N2-(5-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-5-(2-dimethylamino-ethyl)-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
Database identifiers
- PubChem CID
- 68526324
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 682
Related reactions
1 records
Compound notes
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