N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[3-(4-methylpiperidin-1-yl)propyl]butanediamide
Chemical Structure Depiction of
N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[3-(4-methylpiperidin-1-yl)propyl]butanediamide
N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[3-(4-methylpiperidin-1-yl)propyl]butanediamide
Compound characteristics
| Compound ID: | K232-1886 |
| Compound Name: | N~1~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[3-(4-methylpiperidin-1-yl)propyl]butanediamide |
| Molecular Weight: | 526.65 |
| Molecular Formula: | C27 H34 N4 O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1csc(NC(CCC(NCCCN2CCC(C)CC2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9734 |
| logD: | 0.4552 |
| logSw: | -3.5155 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.003 |
| InChI Key: | XTOPLOHUJLXIMT-UHFFFAOYSA-N |