Basic information
- Standard SMILES
Cc1c(C=C2C(=O)Nc3cccc(-c4cccc(F)c4F)c32)[nH]c2c1C(=O)N(CCN1CCCCC1)CCC2- InChIKey
VKCMOPKWAWGRCG-UHFFFAOYSA-N- Molecular formula
- C31H32F2N4O2
- Average molar mass
- 530.6 g/mol
Names & identifiers
- Preferred name
- 2-[4-(2,3-difluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-methyl-5-(2-piperidin-1-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
- IUPAC
- 2-[[4-(2,3-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-5-(2-piperidin-1-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one
Names & synonyms
SCHEMBL3136552VKCMOPKWAWGRCG-UHFFFAOYSA-N2-[4-(2,3-difluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-methyl-5-(2-piperidin-1-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
Database identifiers
- PubChem CID
- 68524910
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 940
Related reactions
1 records
Compound notes
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