Basic information
- CAS
153804-52-5- Standard SMILES
COc1ccccc1N1CCN(CC(C)COc2cccc3c2SCCC3)CC1.O=C(O)/C=C/C(=O)O- InChIKey
SOGCBACRRQACFZ-WLHGVMLRSA-N- Molecular formula
- C28H36N2O6S
- Average molar mass
- 528.7 g/mol
- Monoisotopic mass
- 528.22940805
Names & identifiers
- Preferred name
- Piperazine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methylpropyl)-4-(2-methoxyphenyl)-, (E)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
Names & synonyms
153804-52-5Piperazine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methylpropyl)-4-(2-methoxyphenyl)-, (E)-2-butenedioate (1:1)RefChem:10958238-((3-(4-(2-Methoxyphenyl)piperazin-1-yl)-2-methylpropyl)oxy)thiochroman fumarate
Database identifiers
- CAS
153804-52-5- PubChem CID
- 6448840
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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