7-Bromo-N11-ethyl-N6-methyl-9-trifluoromethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
Basic information
- CAS
133626-86-5- Standard SMILES
CCN1c2cc(C(F)(F)F)cc(Br)c2N(C)C(=O)c2cccnc21- InChIKey
POYPRRVGCSBGMN-UHFFFAOYSA-N- Molecular formula
- C16H13BrF3N3O
- Average molar mass
- 400.19 g/mol
- Monoisotopic mass
- 399.01941
Names & identifiers
- Preferred name
- 7-Bromo-N11-ethyl-N6-methyl-9-trifluoromethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
- IUPAC
- 7-bromo-11-ethyl-6-methyl-9-(trifluoromethyl)pyrido[3,2-c][1,5]benzodiazepin-5-one
Names & synonyms
133626-86-57-Bromo-N11-ethyl-N6-methyl-9-trifluoromethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one7-Bromo-N11-ethyl-N6-methyl-9-trifluoromethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one7-bromo-11-ethyl-6-methyl-9-(trifluoromethyl)pyrido[3,2-c][1,5]benzodiazepin-5-oneCHEMBL306247DTXSID801582307-Bromo-11-ethyl-6-methyl-9-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
Database identifiers
- CAS
133626-86-5- PubChem CID
- 453296
- DTXSID
DTXSID80158230- ChEMBL
CHEMBL306247- Nikkaji
- J420.563D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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