5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-(2,6-dimethylphenyl)-
Basic information
- CAS
63931-74-8- Standard SMILES
Cc1cccc(C)c1N1C=NNc2ccccc2C1=O- InChIKey
MDJZDMHRHRGSLE-UHFFFAOYSA-N- Molecular formula
- C16H15N3O
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.12151211
Names & identifiers
- Preferred name
- 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-(2,6-dimethylphenyl)-
- IUPAC
- 4-(2,6-dimethylphenyl)-1H-1,2,4-benzotriazepin-5-one
Names & synonyms
BRN 05436005H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-(2,6-dimethylphenyl)-63931-74-8DTXSID702137411,4-Dihydro-4-(2,6-dimethylphenyl)-5H-1,2,4-benzotriazepin-5-one5-26-04-00345 (Beilstein Handbook Reference)RefChem:305158DTXCID001362324-(2,6-Dimethylphenyl)-1,4-dihydro-5H-1,2,4-benzotriazepin-5-one
Database identifiers
- CAS
63931-74-8- PubChem CID
- 3048699
- DTXSID
DTXSID70213741
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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