3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(3-pyridinylmethyl)-, (E)-2-butenedioate (2:1)
Basic information
- CAS
161364-76-7- Standard SMILES
COc1ccccc1OCC1SCCN1C(=O)CC(=O)NCc1cccnc1.COc1ccccc1OCC1SCCN1C(=O)CC(=O)NCc1cccnc1.O=C(O)CCC(=O)O- InChIKey
CRSYIIXTMYSWBG-WXXKFALUSA-N- Molecular formula
- C44H52N6O12S2
- Average molar mass
- 921.1 g/mol
- Monoisotopic mass
- 920.30846346
Names & identifiers
- Preferred name
- 3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(3-pyridinylmethyl)-, (E)-2-butenedioate (2:1)
- IUPAC
- butanedioic acid;bis(3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide)
- English name
- 3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(3- pyridinylmethyl)-, (E)-2-butenedioate (2:1)
- Molecular formula
- 2C20H23N3O4S.C4H4O4
- Molecular weight
- 919.041
Names & synonyms
161364-76-73-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(3-pyridinylmethyl)-, (E)-2-butenedioate (2:1)RefChem:282715DTXSID40936511butanedioic acid;3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamideButanedioic acid--3-{2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl}-3-oxo-N-[(pyridin-3-yl)methyl]propanimidic acid (1/2)3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(3- pyridinylmethyl)-, (E)-2-butenedioate (2:1)
Database identifiers
- CAS
161364-76-7- PubChem CID
- 3074763
- DTXSID
DTXSID40936511
Properties
Computed structural properties
- Topological polar surface area
- 287 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 19
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 614
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Compound notes
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