2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3H-naphtho[2,1-b]pyran-3-one
Chemical Structure Depiction of
2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3H-naphtho[2,1-b]pyran-3-one
2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3H-naphtho[2,1-b]pyran-3-one
Compound characteristics
| Compound ID: | E594-0164 |
| Compound Name: | 2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3H-naphtho[2,1-b]pyran-3-one |
| Molecular Weight: | 384.35 |
| Molecular Formula: | C22 H12 N2 O5 |
| Smiles: | C1Oc2ccc(cc2O1)c1nc(C2=Cc3c(ccc4ccccc34)OC2=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.8797 |
| logD: | 4.8797 |
| logSw: | -5.8369 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.41 |
| InChI Key: | YMQNGDCESYOEEM-UHFFFAOYSA-N |