Ethyl 2-[2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Basic information
- CAS
7067-13-2- Standard SMILES
C=CCOc1ccc(C2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC- InChIKey
QOSUJIDJZGHLOQ-UHFFFAOYSA-N- Molecular formula
- C31H30N4O7S
- Average molar mass
- 602.7 g/mol
- Monoisotopic mass
- 602.18352048
Names & identifiers
- Preferred name
- Ethyl 2-[2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Names & synonyms
7067-13-2ethyl 2-[2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylateDTXSID00414764Ethyl 2-(2-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-[hydroxy(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Database identifiers
- CAS
7067-13-2- PubChem CID
- 5269443
- DTXSID
DTXSID00414764
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,100
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