4-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0778 |
| Compound Name: | 4-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 373.77 |
| Molecular Formula: | C18 H13 Cl F N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(Cc1nc(c3ccc(c(c3)[Cl])F)no1)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0722 |
| logD: | 4.0722 |
| logSw: | -4.468 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | YLKDCYPWUGFVMJ-UHFFFAOYSA-N |