4-(4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl}-4-oxobutyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-(4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl}-4-oxobutyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-(4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl}-4-oxobutyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | S544-1170 |
| Compound Name: | 4-(4-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl}-4-oxobutyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 440.51 |
| Molecular Formula: | C25 H29 F N2 O4 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCC(CCOc3ccc(cc3)F)C1)=O)C(CO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4082 |
| logD: | 3.4082 |
| logSw: | -3.662 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.885 |
| InChI Key: | PFSWXJVNXUUJCO-LJQANCHMSA-N |