methyl 4-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}benzoate
methyl 4-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D337-1253 |
| Compound Name: | methyl 4-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}benzoate |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C20 H16 N2 O6 |
| Smiles: | [H]N(C(c1cc(c2ccc3c(c2)OCCO3)on1)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8892 |
| logD: | 2.8891 |
| logSw: | -3.5288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.862 |
| InChI Key: | BBBIQOYTQICDMO-UHFFFAOYSA-N |