N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D336-3671 |
| Compound Name: | N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C24 H20 N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)OCCSc1nc2ccc(cc2s1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0063 |
| logD: | 6.0062 |
| logSw: | -5.4474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.673 |
| InChI Key: | NHDXTFOWBOBDJA-UHFFFAOYSA-N |