6-tert-butyl-8-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-tert-butyl-8-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-tert-butyl-8-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C200-5007 |
| Compound Name: | 6-tert-butyl-8-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C22 H20 N2 O5 |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)O)c1nc(c2ccc(cc2)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.3546 |
| logD: | 5.326 |
| logSw: | -5.3503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.342 |
| InChI Key: | UKQAPJVYPWYDCE-UHFFFAOYSA-N |