methyl 4-(2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}acetamido)benzoate
methyl 4-(2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | K940-2359 |
| Compound Name: | methyl 4-(2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}acetamido)benzoate |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C22 H25 F N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1CCN(CC1)CC(Nc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1869 |
| logD: | 3.1863 |
| logSw: | -3.3765 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.984 |
| InChI Key: | ITCBKWXGPHOECH-UHFFFAOYSA-N |