7-chloro-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-chloro-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
7-chloro-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0097 |
| Compound Name: | 7-chloro-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 369.81 |
| Molecular Formula: | C19 H16 Cl N3 O3 |
| Smiles: | CCc1ccc(cc1)c1nc(CN2C(COc3cc(ccc23)[Cl])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.8911 |
| logD: | 4.8911 |
| logSw: | -4.9174 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | FYNDZTCJWMZYPU-UHFFFAOYSA-N |