3-methyl-2-oxo-N-[2-(propylsulfanyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
3-methyl-2-oxo-N-[2-(propylsulfanyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
3-methyl-2-oxo-N-[2-(propylsulfanyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | M070-0340 |
| Compound Name: | 3-methyl-2-oxo-N-[2-(propylsulfanyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C18 H17 N3 O4 S3 |
| Smiles: | CCCSc1nc2ccc(cc2s1)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1845 |
| logD: | 4.1781 |
| logSw: | -4.3219 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.835 |
| InChI Key: | VZYBVWMQVIWGIT-UHFFFAOYSA-N |