4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(phenylmethyl)-
Basic information
- CAS
77796-14-6- Standard SMILES
Fc1ccc(C2CCc3nnc(Cc4ccccc4)n3-c3cc(F)ccc32)cc1- InChIKey
SKMSJYQFUZGGJN-UHFFFAOYSA-N- Molecular formula
- C24H19F2N3
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.15470394
Names & identifiers
- Preferred name
- 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(phenylmethyl)-
- IUPAC
- 1-benzyl-9-fluoro-6-(4-fluorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
- English name
- 1-benzyl-9-fluoro-6-(4-fluorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
- Molecular formula
- C24H19F2N3
- Molecular weight
- 387.4245664
Names & synonyms
77796-14-6BRN 4586671VUFB-140364H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(phenylmethyl)-RefChem:2968261-benzyl-9-fluoro-6-(4-fluorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepineDTXSID10999012AE-641/00192005
Database identifiers
- CAS
77796-14-6- PubChem CID
- 3060171
- DTXSID
DTXSID10999012
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 532
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Compound notes
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