N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide
N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | D336-2288 |
| Compound Name: | N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide |
| Molecular Weight: | 433.98 |
| Molecular Formula: | C20 H20 Cl N3 O2 S2 |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9886 |
| logD: | 4.9884 |
| logSw: | -5.0247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.649 |
| InChI Key: | VMLJGJNHPQELJG-UHFFFAOYSA-N |