Piperazine, 1-(10,11-dihydro-8-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1)
Basic information
- CAS
24495-46-3- Standard SMILES
CN1CCN(C2Cc3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.O=C(O)/C=C/C(=O)O- InChIKey
JORDAAUEHIWTGU-WLHGVMLRSA-N- Molecular formula
- C24H25F3N2O4S
- Average molar mass
- 494.5 g/mol
- Monoisotopic mass
- 494.14871294
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydro-8-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Names & synonyms
24495-46-3Piperazine, 1-(10,11-dihydro-8-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1)RefChem:1095736Trifluthepin maleate8-Trifluoromethyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
Database identifiers
- CAS
24495-46-3- PubChem CID
- 6445201
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…