1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N,N-dimethylaminocarbonyl)-4-phenylpiperid-1-yl]propyl]perhydroazepine hydrochloride hemihydrate

HCID 131721656
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Basic information

Standard SMILES
CN(C)C(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCCN(C(=O)c3ccccc3)C2)CC1.CN(C)C(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCCN(C(=O)c3ccccc3)C2)CC1.Cl.Cl.O
InChIKey
RREFKTRSAUSNEA-UHFFFAOYSA-N
Molecular formula
C72H90Cl6N6O5
Average molar mass
1,332.2 g/mol
Monoisotopic mass
1,328.510386

Names & identifiers

Preferred name
1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N,N-dimethylaminocarbonyl)-4-phenylpiperid-1-yl]propyl]perhydroazepine hydrochloride hemihydrate
IUPAC
bis(1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)azepan-3-yl]propyl]-N,N-dimethyl-4-phenylpiperidine-4-carboxamide);hydrate;dihydrochloride

Names & synonyms

RREFKTRSAUSNEA-UHFFFAOYSA-N1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N,N-dimethylaminocarbonyl)-4-phenylpiperid-1-yl]propyl]perhydroazepine hydrochloride hemihydrate

Database identifiers

PubChem CID
131721656

Properties

Computed structural properties

Topological polar surface area
88.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
16
Heavy atoms
89

Related reactions

3 records
New reaction record

Linked notes

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