N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
Compound characteristics
| Compound ID: | 8007-7454 |
| Compound Name: | N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide |
| Molecular Weight: | 512.45 |
| Molecular Formula: | C23 H18 Br N3 O2 S2 |
| Smiles: | Cc1ccccc1C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1924 |
| logD: | 6.1904 |
| logSw: | -5.4705 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | BBNQWAJIRQUWRU-UHFFFAOYSA-N |