N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D336-3600 |
| Compound Name: | N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C23 H18 N2 O4 S2 |
| Smiles: | C(CSc1nc2ccc(cc2s1)NC(c1ccc2c(c1)OCO2)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5544 |
| logD: | 5.5543 |
| logSw: | -5.9279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.673 |
| InChI Key: | BCOPJVUCSHQBAM-UHFFFAOYSA-N |