1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-
Basic information
- CAS
18852-18-1- Standard SMILES
O=C1NN(Cc2ccccc2)C(=O)Nc2ccccc21- InChIKey
NMOGZPSLOZNTTK-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077667
Names & identifiers
- Preferred name
- 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-
- IUPAC
- 3-benzyl-1,4-dihydro-1,3,4-benzotriazepine-2,5-dione
Names & synonyms
3-Benzyl-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-3-benzyl-18852-18-1DTXSID30172209RefChem:237101DTXCID8094700
Database identifiers
- CAS
18852-18-1- PubChem CID
- 29306
- DTXSID
DTXSID30172209- Nikkaji
- J67.815E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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