3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-6-chloro-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)-6-chloro-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)-6-chloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | M040-1168 |
| Compound Name: | 3-(2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-6-chloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 465.87 |
| Molecular Formula: | C22 H12 Cl N3 O5 S |
| Smiles: | C(c1nc(c2ccc3c(c2)OCO3)no1)c1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4871 |
| logD: | 5.4871 |
| logSw: | -6.0751 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.576 |
| InChI Key: | WIYVJMQDGXDYCL-UHFFFAOYSA-N |