N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D336-2349 |
| Compound Name: | N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide |
| Molecular Weight: | 459.99 |
| Molecular Formula: | C20 H14 Cl N3 O2 S3 |
| Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)Sc1nc2ccc(cc2s1)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6469 |
| logD: | 5.6468 |
| logSw: | -6.0393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.307 |
| InChI Key: | XVIIRJTUTLZIQT-UHFFFAOYSA-N |