ethyl ({6-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({6-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate
ethyl ({6-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D336-6014 |
| Compound Name: | ethyl ({6-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 416.47 |
| Molecular Formula: | C19 H16 N2 O5 S2 |
| Smiles: | CCOC(CSc1nc2ccc(cc2s1)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2732 |
| logD: | 4.2731 |
| logSw: | -4.2626 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.685 |
| InChI Key: | ANSCMDCRGBPYGS-UHFFFAOYSA-N |