N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D336-5020 |
| Compound Name: | N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C22 H16 N2 O3 S2 |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1ccc2c(c1)sc(n2)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3865 |
| logD: | 5.3865 |
| logSw: | -5.8396 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.255 |
| InChI Key: | ACJXVIXMLHWTFZ-UHFFFAOYSA-N |