methyl 6-[(8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E475-0595 |
| Compound Name: | methyl 6-[(8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 408.37 |
| Molecular Formula: | C21 H16 N2 O7 |
| Smiles: | Cc1ccc2c(c1)c1c(CO2)c(C(Nc2cc3c(cc2C(=O)OC)OCO3)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.7034 |
| logD: | 2.781 |
| logSw: | -4.0036 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.451 |
| InChI Key: | SMTKHDBLJDLUQF-UHFFFAOYSA-N |