Basic information
- Standard SMILES
CSc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1- InChIKey
MCOZECJKDTWXES-UHFFFAOYSA-N- Molecular formula
- C19H24ClNOS
- Average molar mass
- 349.9 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5-methylthio-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide
- IUPAC
- N-(1-adamantylmethyl)-2-chloro-5-methylsulfanylbenzamide
Names & synonyms
SCHEMBL7570373MCOZECJKDTWXES-UHFFFAOYSA-NAKOS0085188152-Chloro-5-methylthio-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide
Database identifiers
- PubChem CID
- 8923944
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Related reactions
3 records
Compound notes
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