methyl 6-[(4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E146-1038 |
| Compound Name: | methyl 6-[(4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 410.4 |
| Molecular Formula: | C20 H14 N2 O6 S |
| Smiles: | COC(c1cc2c(cc1NC(c1c3CSc4ccccc4c3on1)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7577 |
| logD: | 2.8352 |
| logSw: | -4.0385 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.002 |
| InChI Key: | IPXMXUBHBPNLMU-UHFFFAOYSA-N |