6-methyl-4-(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-4-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-methyl-4-(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-4-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
6-methyl-4-(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-4-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | S428-1231 |
| Compound Name: | 6-methyl-4-(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-4-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C24 H30 N4 O5 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCC(C1)c1nc(C3CCOCC3)no1)=O)C(CO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2753 |
| logD: | 2.2753 |
| logSw: | -2.6292 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.245 |
| InChI Key: | HPKPWHQBYDQZHX-GOSISDBHSA-N |