N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D336-4452 |
| Compound Name: | N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 484.98 |
| Molecular Formula: | C23 H17 Cl N2 O4 S2 |
| Smiles: | C(CSc1nc2ccc(cc2s1)NC(c1ccc2c(c1)OCO2)=O)Oc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9137 |
| logD: | 5.9136 |
| logSw: | -6.1854 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.759 |
| InChI Key: | WXLLKFVGXUICLQ-UHFFFAOYSA-N |