N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | D336-4414 |
| Compound Name: | N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 392.92 |
| Molecular Formula: | C18 H17 Cl N2 O2 S2 |
| Smiles: | CCC(Nc1ccc2c(c1)sc(n2)SCCOc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8693 |
| logD: | 4.8692 |
| logSw: | -4.8677 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.702 |
| InChI Key: | BVRJWIAJBRYPHG-UHFFFAOYSA-N |