Basic information
- Standard SMILES
CCOC(=O)C1(C)CCN(C(=S)Nc2ccc(Cl)cc2)CC1- InChIKey
BKXWRMDJVZYTPJ-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O2S
- Average molar mass
- 340.9 g/mol
- Monoisotopic mass
- 340.1012268
Names & identifiers
- Preferred name
- Ethyl 1-{[(4-chlorophenyl)amino]carbonothioyl}-4-methylpiperidine-4-carboxylate
- IUPAC
- ethyl 1-[(4-chlorophenyl)carbamothioyl]-4-methylpiperidine-4-carboxylate
Names & synonyms
SCHEMBL315008BKXWRMDJVZYTPJ-UHFFFAOYSA-NEthyl 1-{[(4-chlorophenyl)amino]carbonothioyl}-4-methylpiperidine-4-carboxylate
Database identifiers
- PubChem CID
- 59619551
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
3 records
Compound notes
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