Basic information
- Standard SMILES
CN(C[C@@H](CCN1CCC(N2CCCN(C)C2=S)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1.Cl- InChIKey
QDLLTXFZINZMJX-GNAFDRTKSA-N- Molecular formula
- C28H37Cl3N4OS
- Average molar mass
- 584 g/mol
- Monoisotopic mass
- 582.175366
Names & identifiers
- Preferred name
- (S)-N-[2-(3,4-Dichlorophenyl)-4-[4-(3-methyl-2-thioxoperhydropyrimidin-1-yl)piperidino]butyl]-N-methylbenzamide hydrochloride
- IUPAC
- N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(3-methyl-2-sulfanylidene-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide;hydrochloride
Names & synonyms
SCHEMBL7049392QDLLTXFZINZMJX-GNAFDRTKSA-N(S)-N-[2-(3,4-Dichlorophenyl)-4-[4-(3-methyl-2-thioxoperhydropyrimidin-1-yl)piperidino]butyl]-N-methylbenzamide hydrochloride(S)-N-[2-(3,4-Dichlorophenyl)-4-[4-(3-methyl-2thioxoperhydropyrimidin-1-yl)piperidino]butyl]-N-methylbenzamide hydrochloride
Database identifiers
- PubChem CID
- 86589869
Properties
Computed structural properties
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 728
Related reactions
6 records
Compound notes
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