methyl 4-[(4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonyl)amino]benzoate
methyl 4-[(4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | M030-0205 |
| Compound Name: | methyl 4-[(4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonyl)amino]benzoate |
| Molecular Weight: | 386.38 |
| Molecular Formula: | C18 H14 N2 O6 S |
| Smiles: | COC(c1ccc(cc1)NS(c1ccc2c(c1)c1c(CO2)cno1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5929 |
| logD: | 2.4528 |
| logSw: | -3.1182 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.245 |
| InChI Key: | QBQNAYQQDIEWSX-UHFFFAOYSA-N |