1H-1,4-Benzodiazepine, 2,3-dihydro-5-phenyl-7-trifluoromethoxy-
Basic information
- CAS
19337-66-7- Standard SMILES
FC(F)(F)Oc1ccc2c(c1)C(c1ccccc1)=NCCN2- InChIKey
PYWGKXMPEZETDF-UHFFFAOYSA-N- Molecular formula
- C16H13F3N2O
- Average molar mass
- 306.28 g/mol
- Monoisotopic mass
- 306.09799753
Names & identifiers
- Preferred name
- 1H-1,4-Benzodiazepine, 2,3-dihydro-5-phenyl-7-trifluoromethoxy-
- IUPAC
- 5-phenyl-7-(trifluoromethoxy)-2,3-dihydro-1H-1,4-benzodiazepine
- English name
- 2,3-Dihydro-5-phenyl-7-(trifluoromethoxy)-1H-1,4-benzodiazepine
- Molecular formula
- C16H13F3N2O
- Molecular weight
- 306.28
Names & synonyms
19337-66-7BRN 15954451H-1,4-BENZODIAZEPINE, 2,3-DIHYDRO-5-PHENYL-7-TRIFLUOROMETHOXY-2,3-Dihydro-5-phenyl-7-trifluoromethoxy-1H-1,4-benzodiazepineDTXSID601729345-23-12-00371 (Beilstein Handbook Reference)RefChem:237128DTXCID40954252,3-Dihydro-5-phenyl-7-(trifluoromethoxy)-1H-1,4-benzodiazepine5-phenyl-7-(trifluoromethoxy)-2,3-dihydro-1H-1,4-benzodiazepine1H-1,4-Benzodiazepine, 2,3-dihydro-5-phenyl-7-(trifluoromethoxy)-5-phenyl-7-trifluoromethoxy-2,3-dihydro-1H-benzo[e][1,4]diazepine
Database identifiers
- CAS
19337-66-7- PubChem CID
- 29541
- DTXSID
DTXSID60172934- Nikkaji
- J41.271F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
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Compound notes
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