Basic information
- CAS
56071-17-1- Standard SMILES
Cc1cc2c(cc1C)C(=O)C(N1CCN(C)CC1)CCO2.Cl.Cl- InChIKey
PJQRAPRKWLMRKE-UHFFFAOYSA-N- Molecular formula
- C17H26Cl2N2O2
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 360.1371335
Names & identifiers
- Preferred name
- 7,8-Dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1-benzoxepin-5(2H)-one--hydrogen chloride (1/2)
- IUPAC
- 7,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride
Names & synonyms
56071-17-1DTXSID509714537,8-Dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1-benzoxepin-5(2H)-one--hydrogen chloride (1/2)RefChem:1074278DTXCID9013989661-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-(4-methyl-1-piperazinyl)-, dihydrochloride7,8-Dimethyl-4-(4-methyl-1-piperazinyl)-3,4-dihydro-1-benzoxepin-5(2H)-one dihydrochloride
Database identifiers
- CAS
56071-17-1- PubChem CID
- 41719
- DTXSID
DTXSID50971453
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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