6-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0131 |
| Compound Name: | 6-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 415.83 |
| Molecular Formula: | C20 H18 Cl N3 O5 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C(COc3ccc(cc23)[Cl])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.6267 |
| logD: | 3.6267 |
| logSw: | -4.0645 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.252 |
| InChI Key: | DCUCBRCKIUNRTL-UHFFFAOYSA-N |