N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D336-2606 |
| Compound Name: | N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C24 H19 N3 O5 S2 |
| Smiles: | COc1cccc(c1)NC(CSc1nc2ccc(cc2s1)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1285 |
| logD: | 5.1284 |
| logSw: | -5.0495 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.948 |
| InChI Key: | LCCBEBQPAKHCJE-UHFFFAOYSA-N |