N~3~-(4-bromobenzene-1-sulfonyl)-N-(2-oxothiolan-3-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-(2-oxothiolan-3-yl)-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-(2-oxothiolan-3-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y032-4421 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-(2-oxothiolan-3-yl)-beta-alaninamide |
| Molecular Weight: | 407.3 |
| Molecular Formula: | C13 H15 Br N2 O4 S2 |
| Smiles: | C1CSC(C1NC(CCNS(c1ccc(cc1)[Br])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7153 |
| logD: | 1.7037 |
| logSw: | -2.4518 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.864 |
| InChI Key: | BXBFGIPZEIVGSF-NSHDSACASA-N |