Basic information
- Standard SMILES
Cc1c(C=C2C(=O)Nc3c(Br)cc(F)cc32)[nH]c2c1C(=O)N(CCN1CCCCC1)CCC2- InChIKey
PXMSUYXXSURNCO-UHFFFAOYSA-N- Molecular formula
- C25H28BrFN4O2
- Average molar mass
- 515.4 g/mol
- Monoisotopic mass
- 514.13797
Names & identifiers
- Preferred name
- 2-(7-bromo-5-fluoro-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-[(7-bromo-5-fluoro-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
SCHEMBL3138752PXMSUYXXSURNCO-UHFFFAOYSA-N2-(7-bromo-5-fluoro-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
- 68525822
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 788
Related reactions
1 records
Compound notes
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