7-tert-butyl-4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-tert-butyl-4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
7-tert-butyl-4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C200-8369 |
| Compound Name: | 7-tert-butyl-4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C23 H25 N3 O3 |
| Smiles: | Cc1ccc(cc1C)c1nc(CN2C(COc3cc(ccc23)C(C)(C)C)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.744 |
| logD: | 5.744 |
| logSw: | -5.4033 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | ACDIGELNTWQKKT-UHFFFAOYSA-N |