N-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
N-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | K232-1895 |
| Compound Name: | N-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)-4-oxobutanamide |
| Molecular Weight: | 504.4 |
| Molecular Formula: | C22 H22 Br N3 O4 S |
| Smiles: | CC1CCN(CC1)C(CCC(Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6354 |
| logD: | 3.6243 |
| logSw: | -4.009 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.205 |
| InChI Key: | ANZDIXNWTGESPQ-UHFFFAOYSA-N |