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Basic information
- Standard SMILES
O=C(c1ccc(-n2cncn2)cc1C(F)(F)F)N1Cc2cccn2Cc2ccccc21- InChIKey
OWWMUVSLJDJKSG-UHFFFAOYSA-N- Molecular formula
- C22H16F3N5O
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 423.13069464
Names & identifiers
- Preferred name
- (5H,11H-Pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-(4-[1,2,4]triazol-1-yl-2-trifluoromethylphenyl)-methanone
- IUPAC
- 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)phenyl]methanone
Names & synonyms
(5H,11H-Pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-(4-[1,2,4]triazol-1-yl-2-trifluoromethylphenyl)-methanoneSCHEMBL6625759
Database identifiers
- PubChem CID
- 9823596
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 662
Related reactions
3 records
Compound notes
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