6-tert-butyl-4-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-4-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0282 |
| Compound Name: | 6-tert-butyl-4-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C21 H20 Cl N3 O3 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(Cc1nc(c3ccccc3[Cl])no1)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8437 |
| logD: | 4.8437 |
| logSw: | -4.8057 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | JBRHQJIVPBGPNW-UHFFFAOYSA-N |