Basic information
- Standard SMILES
Cc1cc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)on1- InChIKey
KSFDHAWWRWUGAG-UHFFFAOYSA-N- Molecular formula
- C21H16F3N3O2
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.11946125
Names & identifiers
- Preferred name
- 7-methyl-4-(3-(3-methylisoxazol-5-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
- IUPAC
- 7-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Names & synonyms
CHEMBL16317577-methyl-4-(3-(3-methylisoxazol-5-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-oneSCHEMBL6433755BDBM503329737-Methyl-4-[3-(3-methyl-isoxazol-5-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Database identifiers
- PubChem CID
- 18548795
- ChEMBL
CHEMBL1631757
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 654
Related reactions
2 records
Compound notes
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