4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0178 |
| Compound Name: | 4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 355.78 |
| Molecular Formula: | C18 H14 Cl N3 O3 |
| Smiles: | Cc1ccc2c(c1)OCC(N2Cc1nc(c2ccc(cc2)[Cl])no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1877 |
| logD: | 4.1877 |
| logSw: | -4.5609 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | RBMNKGZNUMYNIQ-UHFFFAOYSA-N |