7-Chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one
Basic information
- CAS
3332-91-0- Standard SMILES
CN1CCN(CCCN2C(=O)CN=C(c3ccccc3)c3cc(Cl)ccc32)CC1- InChIKey
FAGZTPDJOLQCBZ-UHFFFAOYSA-N- Molecular formula
- C23H27ClN4O
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 410.1873392
Names & identifiers
- Preferred name
- 7-Chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
Names & synonyms
3332-91-07-Chloro-1,3-dihydro-1-[3-(4-methyl-1-piperazinyl)propyl]-5-phenyl-2H-1,4-benzodiazepin-2-oneDTXSID3011192037-chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one
Database identifiers
- CAS
3332-91-0- PubChem CID
- 18741
- DTXSID
DTXSID301119203
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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