Basic information
- Standard SMILES
CC(=O)Nc1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)s1- InChIKey
BRQBMJJOZNUHAN-UHFFFAOYSA-N- Molecular formula
- C19H23N3O2S
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.15109816
Names & identifiers
- Preferred name
- N-{2-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-1,3-thiazol-5-yl}acetamide
- IUPAC
- N-[2-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-1,3-thiazol-5-yl]acetamide
Names & synonyms
SCHEMBL3086905BRQBMJJOZNUHAN-UHFFFAOYSA-NN-{2-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-1,3-thiazol-5-yl}acetamide
Database identifiers
- PubChem CID
- 10338403
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Related reactions
9 records
Compound notes
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