Piperazine, 1-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-1-oxobutyl)-4-(2-methoxyphenyl)-,(E)-2-butenedioate (1:1)
Basic information
- CAS
153804-46-7- Standard SMILES
COc1ccccc1N1CCN(C(=O)CCCOc2cccc3c2SCCC3)CC1.O=C(O)/C=C/C(=O)O- InChIKey
VTIROKULOXFMNO-WLHGVMLRSA-N- Molecular formula
- C28H34N2O7S
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.2086726
Names & identifiers
- Preferred name
- Piperazine, 1-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-1-oxobutyl)-4-(2-methoxyphenyl)-,(E)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;4-(3,4-dihydro-2H-thiochromen-8-yloxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
Names & synonyms
153804-46-7Piperazine, 1-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-1-oxobutyl)-4-(2-methoxyphenyl)-,(E)-2-butenedioate (1:1)RefChem:10958658-((4-Oxo-4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)oxy)thiochroman fumarate
Database identifiers
- CAS
153804-46-7- PubChem CID
- 6448839
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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