N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide
Chemical Structure Depiction of
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide
Compound characteristics
| Compound ID: | D336-2358 |
| Compound Name: | N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide |
| Molecular Weight: | 433.98 |
| Molecular Formula: | C20 H20 Cl N3 O2 S2 |
| Smiles: | CCCCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4229 |
| logD: | 5.4228 |
| logSw: | -5.8048 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.347 |
| InChI Key: | GTQDZUAXJVSNBN-UHFFFAOYSA-N |