N-[4-(4-butoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
N-[4-(4-butoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
N-[4-(4-butoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | D269-1176 |
| Compound Name: | N-[4-(4-butoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | [H]N(C(C1COc2ccccc2O1)=O)c1c(c2ccc(cc2)OCCCC)non1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0361 |
| logD: | 5.0139 |
| logSw: | -4.5235 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.941 |
| InChI Key: | VPBGHDOCGKTAJV-SFHVURJKSA-N |