N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-2274 |
| Compound Name: | N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C22 H16 Cl N3 O2 S2 |
| Smiles: | C(C(Nc1ccccc1[Cl])=O)Sc1nc2ccc(cc2s1)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0853 |
| logD: | 5.0847 |
| logSw: | -5.5132 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.591 |
| InChI Key: | DCNAUDJKSLHTPO-UHFFFAOYSA-N |