N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | D336-4419 |
| Compound Name: | N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide |
| Molecular Weight: | 420.98 |
| Molecular Formula: | C20 H21 Cl N2 O2 S2 |
| Smiles: | CC(C)(C)C(Nc1ccc2c(c1)sc(n2)SCCOc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5823 |
| logD: | 5.5822 |
| logSw: | -5.8592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.916 |
| InChI Key: | QOKIAXPXZPOJPA-UHFFFAOYSA-N |