10,11-Dihydro-10-[[2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl]carbonyl]-3-(1-piperazinylcarbonyl)-5h-pyrrolo[2,1-c][1,4]benzodiazepine hydrochloride salt
Basic information
- Standard SMILES
Cc1cc(C(=O)N2Cc3ccc(C(=O)N4CCNCC4)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F.Cl- InChIKey
NZNZOMVQCQXLBP-UHFFFAOYSA-N- Molecular formula
- C32H30ClF3N4O2
- Average molar mass
- 595.1 g/mol
- Monoisotopic mass
- 594.2009384
Names & identifiers
- Preferred name
- 10,11-Dihydro-10-[[2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl]carbonyl]-3-(1-piperazinylcarbonyl)-5h-pyrrolo[2,1-c][1,4]benzodiazepine hydrochloride salt
- IUPAC
- [3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-[9-(piperazine-1-carbonyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone;hydrochloride
Names & synonyms
10,11-dihydro-10-[[2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl]carbonyl]-3-(1-piperazinylcarbonyl)-5h-pyrrolo[2,1-c][1,4]benzodiazepine hydrochloride saltSCHEMBL5784297
Database identifiers
- PubChem CID
- 21947784
Properties
Computed structural properties
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 940
Related reactions
5 records
Compound notes
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