6-tert-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-tert-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-1-benzopyran-2-one
6-tert-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C200-5006 |
| Compound Name: | 6-tert-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C21 H17 Cl N2 O4 |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)O)c1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.9669 |
| logD: | 5.9383 |
| logSw: | -5.9654 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.798 |
| InChI Key: | YQHWLMCPJCGUIH-UHFFFAOYSA-N |