6-bromo-8-methoxy-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-8-methoxy-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-bromo-8-methoxy-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0421 |
| Compound Name: | 6-bromo-8-methoxy-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 489.28 |
| Molecular Formula: | C21 H17 Br N2 O7 |
| Smiles: | COc1cc(cc2C=C(C(=O)Oc12)c1nc(c2cc(c(c(c2)OC)OC)OC)no1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2005 |
| logD: | 4.2005 |
| logSw: | -4.5131 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.858 |
| InChI Key: | LJDFKKTYXPWPPL-UHFFFAOYSA-N |