N-(6-ethoxy-1,3-benzothiazol-2-yl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4720 |
| Compound Name: | N-(6-ethoxy-1,3-benzothiazol-2-yl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C21 H20 N4 O5 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(CCNS(c1ccc3c(C=CC(N3)=O)c1)(=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.3607 |
| logD: | 3.3545 |
| logSw: | -3.7566 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.693 |
| InChI Key: | DKQDARPRIUTZRG-UHFFFAOYSA-N |