N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-4-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-4-(propan-2-yl)benzene-1-sulfonamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-4-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5591-3544 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-4-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 456.6 |
| Molecular Formula: | C22 H20 N2 O3 S3 |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc(c(c1)Sc1nc2ccccc2s1)O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8079 |
| logD: | 6.7667 |
| logSw: | -5.6419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.246 |
| InChI Key: | XGMREZQIMZVAFN-UHFFFAOYSA-N |