N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D336-4310 |
| Compound Name: | N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C25 H22 N2 O4 S2 |
| Smiles: | Cc1cc(C)cc(c1)OCCSc1nc2ccc(cc2s1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.466 |
| logD: | 6.4659 |
| logSw: | -5.6032 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.673 |
| InChI Key: | AVVRHXMHWPSRFG-UHFFFAOYSA-N |