N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | D336-2346 |
| Compound Name: | N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C22 H15 Cl F N3 O2 S2 |
| Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)Sc1nc2ccc(cc2s1)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7634 |
| logD: | 5.7582 |
| logSw: | -6.1491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | UJDNWAXYJOIJII-UHFFFAOYSA-N |