2-chloro-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
2-chloro-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
2-chloro-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-1997 |
| Compound Name: | 2-chloro-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 467.99 |
| Molecular Formula: | C23 H18 Cl N3 O2 S2 |
| Smiles: | Cc1cccc(c1)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9547 |
| logD: | 5.9495 |
| logSw: | -5.8754 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | RONCDOIXCACBMZ-UHFFFAOYSA-N |