Basic information
- Standard SMILES
Cc1c(C=C2C(=O)Nc3cc(NCc4ccc(F)cc4)c(F)cc32)[nH]c2c1C(=O)N(CCN1CCOCC1)CCC2- InChIKey
UWBRZILYHDJNON-UHFFFAOYSA-N- Molecular formula
- C31H33F2N5O3
- Average molar mass
- 561.6 g/mol
- Monoisotopic mass
- 561.25514626
Names & identifiers
- Preferred name
- 2-[5-fluoro-6-(4-fluoro-benzylamino)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-m ethyl-5-(2-morpholin-4-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
- IUPAC
- 2-[[5-fluoro-6-[(4-fluorophenyl)methylamino]-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-5-(2-morpholin-4-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one
Names & synonyms
SCHEMBL3136313UWBRZILYHDJNON-UHFFFAOYSA-N2-[5-fluoro-6-(4-fluoro-benzylamino)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-m ethyl-5-(2-morpholin-4-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
Database identifiers
- PubChem CID
- 68524847
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 969
Related reactions
1 records
Compound notes
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