7-chloro-4-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-chloro-4-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
7-chloro-4-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0087 |
| Compound Name: | 7-chloro-4-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 431.83 |
| Molecular Formula: | C20 H18 Cl N3 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(CN2C(COc3cc(ccc23)[Cl])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.4429 |
| logD: | 3.4429 |
| logSw: | -3.9372 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.389 |
| InChI Key: | GFPWMQUEESNHNL-UHFFFAOYSA-N |