3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-7-(diethylamino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-7-(diethylamino)-2H-1-benzopyran-2-one
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-7-(diethylamino)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0017 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-7-(diethylamino)-2H-1-benzopyran-2-one |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C22 H19 N3 O5 |
| Smiles: | CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.7195 |
| logD: | 4.7195 |
| logSw: | -4.6833 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.418 |
| InChI Key: | CSDUNCUWQAFGPV-UHFFFAOYSA-N |