Basic information
- CAS
4699-79-0- Standard SMILES
CN(C)CCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21- InChIKey
ZREXWFCZCPEJID-UHFFFAOYSA-N- Molecular formula
- C20H21ClFN3O
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1357182
Names & identifiers
- Preferred name
- 7-Chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Names & synonyms
DUK7L5PE8ZCHEMBL86553Ro5-6227Ro-5-62277-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-1,3-dihydro-4699-79-0
Database identifiers
- CAS
4699-79-0- PubChem CID
- 20092
- ChEMBL
CHEMBL86553- UNII
- DUK7L5PE8Z
- Nikkaji
- J343.777I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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