Basic information
- CAS
41931-88-8- Standard SMILES
CN1CCN(C2Cc3ccccc3Sc3ccc(S(C)=O)cc32)CC1.O=C(O)/C=C/C(=O)O- InChIKey
QSDYCMVSZROZQR-WLHGVMLRSA-N- Molecular formula
- C24H28N2O5S2
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.14396435
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-methyl-4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Names & synonyms
41931-88-8Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)RefChem:10957281-(10,11-Dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate
Database identifiers
- CAS
41931-88-8- PubChem CID
- 6445811
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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