4-{[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0773 |
| Compound Name: | 4-{[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | Cc1ccc2c(c1)OCC(N2Cc1nc(c2ccc(cc2)C(C)(C)C)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3875 |
| logD: | 5.3875 |
| logSw: | -5.337 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | HGNBPVFGGAJDCF-UHFFFAOYSA-N |