Basic information
- CAS
41931-94-6- Standard SMILES
CN1CCN(C2Cc3ccccc3S(=O)c3ccc(S(C)=O)cc32)CC1.O=C(O)/C=C/C(=O)O- InChIKey
TZBIDSZFMOARQS-WLHGVMLRSA-N- Molecular formula
- C24H28N2O6S2
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.13887896
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide,(Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Names & synonyms
41931-94-6Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide,(Z)-2-butenedioate (1:1)RefChem:1095729
Database identifiers
- CAS
41931-94-6- PubChem CID
- 6445812
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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