4-(2-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-(2-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
4-(2-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F531-1002 |
| Compound Name: | 4-(2-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C26 H27 N5 O4 |
| Smiles: | C1CC(C1)c1nc(c2ccc(cc2)N2CCN(CC2)C(CN2C(COc3ccccc23)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.1438 |
| logD: | 3.1438 |
| logSw: | -3.3212 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.65 |
| InChI Key: | YVLDAOOWLCAWQD-UHFFFAOYSA-N |