N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide
Chemical Structure Depiction of
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide
Compound characteristics
| Compound ID: | D336-2365 |
| Compound Name: | N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide |
| Molecular Weight: | 448 |
| Molecular Formula: | C21 H22 Cl N3 O2 S2 |
| Smiles: | CCC(CC)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7228 |
| logD: | 5.7227 |
| logSw: | -5.8945 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.56 |
| InChI Key: | HFNNAWUNGXSDGV-UHFFFAOYSA-N |