3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one
3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | M040-1114 |
| Compound Name: | 3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 461.45 |
| Molecular Formula: | C23 H15 N3 O6 S |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1csc(Cc2nc(c3ccc4c(c3)OCO4)no2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8241 |
| logD: | 4.8241 |
| logSw: | -4.8403 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.891 |
| InChI Key: | WVQUXHIBDOJXNI-UHFFFAOYSA-N |