6-tert-butyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate
Chemical Structure Depiction of
6-tert-butyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate
6-tert-butyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate
Compound characteristics
| Compound ID: | C200-5004 |
| Compound Name: | 6-tert-butyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C25 H24 N2 O5 |
| Smiles: | CCC(=O)Oc1cc(cc2C=C(C(=O)Oc12)c1nc(c2ccccc2C)no1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.2496 |
| logD: | 6.2496 |
| logSw: | -5.5386 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.391 |
| InChI Key: | MYJNKKFLNDFKBV-UHFFFAOYSA-N |