3-(2-{[3-(4-bromophenyl)-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-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one
3-(2-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | M040-1117 |
| Compound Name: | 3-(2-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 496.34 |
| Molecular Formula: | C22 H14 Br N3 O4 S |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1csc(Cc2nc(c3ccc(cc3)[Br])no2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7373 |
| logD: | 5.7373 |
| logSw: | -5.5498 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.775 |
| InChI Key: | HBHVTADCGKCRAO-UHFFFAOYSA-N |