3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0018 |
| Compound Name: | 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 414.28 |
| Molecular Formula: | C19 H12 Br N O3 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nc(cs2)c2ccc(cc2)[Br])c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6232 |
| logD: | 5.6232 |
| logSw: | -5.5482 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.166 |
| InChI Key: | GBHONPDKXDYRRP-UHFFFAOYSA-N |