3-methyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide
Chemical Structure Depiction of
3-methyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide
3-methyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide
Compound characteristics
| Compound ID: | F601-0678 |
| Compound Name: | 3-methyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C16 H14 N2 O3 S |
| Smiles: | CN1C(=O)Oc2ccc(cc12)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7809 |
| logD: | 2.7809 |
| logSw: | -3.605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.195 |
| InChI Key: | YSZSQSZISXBVQY-UHFFFAOYSA-N |