3-methyl-N-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
3-methyl-N-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
3-methyl-N-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | K906-3428 |
| Compound Name: | 3-methyl-N-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C16 H16 N2 O3 S2 |
| Smiles: | Cc1ccc(CNS(c2ccc3c(c2)OC(N3C)=S)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1812 |
| logD: | 3.1808 |
| logSw: | -3.6123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.67 |
| InChI Key: | HVORQBAFJJTMJC-UHFFFAOYSA-N |