Basic information
- Standard SMILES
CC(=O)N(C)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(Cc3ccccc3)C(=O)CO2)CC1.Cl.O- InChIKey
HSXGYUXZOUWGBU-UHFFFAOYSA-N- Molecular formula
- C33H40Cl3N3O4
- Average molar mass
- 649 g/mol
- Monoisotopic mass
- 647.20844
Names & identifiers
- Preferred name
- 6-[2-[4-(Acetyl-N-methylamino)-4-phenylpiperid-1-yl]ethyl]-4-benzyl-6-(3,4-dichlorophenyl)morpholin-3-one hydrochloride monohydrate
- IUPAC
- N-[1-[2-[4-benzyl-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]-N-methylacetamide;hydrate;hydrochloride
Names & synonyms
SCHEMBL7751956HSXGYUXZOUWGBU-UHFFFAOYSA-N6-[2-[4-(Acetyl-N-methylamino)-4-phenylpiperid-1-yl]ethyl]-4-benzyl-6-(3,4-dichlorophenyl)morpholin-3-one hydrochloride monohydrate
Database identifiers
- PubChem CID
- 21200596
Properties
Computed structural properties
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 885
Related reactions
6 records
Compound notes
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