N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D336-4665 |
| Compound Name: | N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C25 H22 N2 O5 S2 |
| Smiles: | Cc1ccc(c(c1)OC)OCCSc1nc2ccc(cc2s1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6102 |
| logD: | 5.6102 |
| logSw: | -5.3476 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.39 |
| InChI Key: | QNQRYSAVDUFUPE-UHFFFAOYSA-N |