Basic information
- Standard SMILES
O=C(CN1C(=O)C(NC(=O)n2ccnc2)N=C(c2ccccc2F)c2ccccc21)N1CC2CCC(CC2)C1- InChIKey
DBMZKVWQSJYCOE-UHFFFAOYSA-N- Molecular formula
- C29H29FN6O3
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.22851697
Names & identifiers
- Preferred name
- (3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-3-(imidazol-1-yl) carbonylamino-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one
- IUPAC
- N-[1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]imidazole-1-carboxamide
Names & synonyms
SCHEMBL9056419DBMZKVWQSJYCOE-UHFFFAOYSA-N(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-3-(imidazol-1-yl) carbonylamino-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-3-(imidazol-1-yl)carbonylamino-5-(2-fluoro-phenyl)-1H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 19081322
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 955
Related reactions
2 records
Linked notes
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