4-methyl-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-methyl-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-methyl-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-1996 |
| Compound Name: | 4-methyl-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C24 H21 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9229 |
| logD: | 5.9222 |
| logSw: | -5.396 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | CVDRSNIFNXNCNT-UHFFFAOYSA-N |