N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | D336-2385 |
| Compound Name: | N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide |
| Molecular Weight: | 483.99 |
| Molecular Formula: | C23 H18 Cl N3 O3 S2 |
| Smiles: | COc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7167 |
| logD: | 5.7164 |
| logSw: | -6.0696 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.833 |
| InChI Key: | YEEQOMAIMKNCNA-UHFFFAOYSA-N |