3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | E975-1158 |
| Compound Name: | 3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C18 H18 N2 O5 S2 |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(Nc1cccc(c1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9915 |
| logD: | 1.9914 |
| logSw: | -2.9706 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.018 |
| InChI Key: | CHRJMBXZPGUHMX-UHFFFAOYSA-N |