Basic information
- CAS
41932-78-9- Standard SMILES
Cc1ccc2c(c1)C(N1CCN(C)CC1)C(c1ccccc1)CCS2.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
QHKWOBGWLDEOKT-LVEZLNDCSA-N- Molecular formula
- C30H36N2O8S
- Average molar mass
- 584.7 g/mol
- Monoisotopic mass
- 584.21923728
Names & identifiers
- Preferred name
- Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-7-methyl-4-phenyl-1-benzothiepin-5-yl)-, (Z)-2-butenedioate, hydrate (1:2:1)
- IUPAC
- bis((E)-but-2-enedioic acid);1-methyl-4-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
Names & synonyms
Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-7-methyl-4-phenyl-1-benzothiepin-5-yl)-, (Z)-2-butenedioate, hydrate (1:2:1)41932-78-9RefChem:10960204-Phenyl-5-(4-methylpiperazino)-7-methyl-2,3,4,5-tetrahydro-1-benzothiepin dimaleate hydrate
Database identifiers
- CAS
41932-78-9- PubChem CID
- 6445815
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…