N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
Compound characteristics
| Compound ID: | 6145-0007 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C27 H16 N2 O5 S3 |
| Smiles: | c1ccc2C(c3cc(ccc3C(c2c1)=O)S(Nc1ccc(c(c1)Sc1nc2ccccc2s1)O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8216 |
| logD: | 6.7805 |
| logSw: | -5.7373 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.188 |
| InChI Key: | ROUBYEIPEZUFPS-UHFFFAOYSA-N |