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Basic information
- Standard SMILES
CC(Nc1c(Cl)ccc2c1CCNCC2)c1cccs1- InChIKey
VPYKGNPGHOSFDG-UHFFFAOYSA-N- Molecular formula
- C16H19ClN2S
- Average molar mass
- 306.9 g/mol
- Monoisotopic mass
- 306.0957475
Names & identifiers
- Preferred name
- 7-chloro-N-(1-thiophen-2-ylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
- IUPAC
- 7-chloro-N-(1-thiophen-2-ylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
Names & synonyms
SCHEMBL507386
Database identifiers
- PubChem CID
- 57656014
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
1 records
Compound notes
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