Basic information
- Standard SMILES
CC1C(=O)N(C(=O)[C@H](C)N)c2cccc(N)c2-c2ccccc21- InChIKey
DBIQLSTXFFVFES-DTIOYNMSSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
Names & identifiers
- Preferred name
- 5-(L-alaninyl)-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one
- IUPAC
- 1-amino-5-[(2S)-2-aminopropanoyl]-7-methyl-7H-benzo[d][1]benzazepin-6-one
Names & synonyms
SCHEMBL6304143DBIQLSTXFFVFES-DTIOYNMSSA-N5-( L-alaninyl)-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one5-(L-alaninyl)-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one
Database identifiers
- PubChem CID
- 69736335
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
29 records
Compound notes
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