7-tert-butyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-tert-butyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
7-tert-butyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C200-8362 |
| Compound Name: | 7-tert-butyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | CC(C)(C)c1ccc2c(c1)OCC(N2Cc1nc(c2ccccc2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6548 |
| logD: | 4.6548 |
| logSw: | -4.4826 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | ZTCQMLFTICEGLQ-UHFFFAOYSA-N |