N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-4-methoxy-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-4-methoxy-3-nitrobenzene-1-sulfonamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-4-methoxy-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 6145-1017 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-4-methoxy-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C20 H15 N3 O6 S3 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)S(Nc1ccc(c(c1)Sc1nc2ccccc2s1)O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0944 |
| logD: | 5.0532 |
| logSw: | -4.7864 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.957 |
| InChI Key: | ULINTDCKCSRQQL-UHFFFAOYSA-N |