N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide
Chemical Structure Depiction of
N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide
N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide
Compound characteristics
| Compound ID: | K232-1906 |
| Compound Name: | N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1csc(NC(CCC(NC2CCCc3ccccc23)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5168 |
| logD: | 4.5058 |
| logSw: | -4.3984 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.023 |
| InChI Key: | NWPKYTZNCKUYER-NRFANRHFSA-N |