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Basic information
- Standard SMILES
O=C(c1ccc(-n2cccn2)cc1C(F)(F)F)N1Cc2cccn2Cc2ccccc21- InChIKey
AWLHGHTYQYATNQ-UHFFFAOYSA-N- Molecular formula
- C23H17F3N4O
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.13544566
Names & identifiers
- Preferred name
- (4-Pyrazol-1-yl-2-trifluoromethyl-phenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone
- IUPAC
- 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]methanone
Names & synonyms
(4-Pyrazol-1-yl-2-trifluoromethyl-phenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanoneSCHEMBL6625133
Database identifiers
- PubChem CID
- 9931997
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Related reactions
3 records
Compound notes
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