N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-1990 |
| Compound Name: | N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C23 H19 N3 O2 S2 |
| Smiles: | Cc1cccc(c1)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3945 |
| logD: | 5.3939 |
| logSw: | -5.3868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | VUXIBCXLUSOXFV-UHFFFAOYSA-N |