N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4842 |
| Compound Name: | N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C17 H17 N3 O4 S2 |
| Smiles: | C(CNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)C(NCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8222 |
| logD: | 1.816 |
| logSw: | -2.6227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.149 |
| InChI Key: | XXABCVFOWCVAIE-UHFFFAOYSA-N |