Basic information
- CAS
16926-66-2- Standard SMILES
CC1c2ccccc2Sc2ccccc2C1N1CCN(C)CC1.O=C(O)/C=C\C(=O)O- InChIKey
KJXJAGVMIQGTAE-BTJKTKAUSA-N- Molecular formula
- C24H28N2O4S
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.17697855
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydro-11-methyldibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1)
- IUPAC
- (Z)-but-2-enedioic acid;1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Names & synonyms
Piperazine, 1-(10,11-dihydro-11-methyldibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1)16926-66-2RefChem:109570410-(4-Methylpiperazino)-11-methyl-10,11-dihydrodibenzo(b,f)thiepin maleate1-(10,11-Dihydro-11-methyldibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate
Database identifiers
- CAS
16926-66-2- PubChem CID
- 6444762
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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