2-[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
2-[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
Compound characteristics
Compound ID: | 5742-1113 |
Compound Name: | 2-[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide |
Molecular Weight: | 430.52 |
Molecular Formula: | C23 H31 F N4 O3 |
Smiles: | CC1(C)CC(C(=CNCCN2CCN(CC2)CC(Nc2ccc(cc2)F)=O)C(C1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.333 |
logD: | 1.006 |
logSw: | -2.1822 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.301 |
InChI Key: | DGOQRJYUSSZYQD-UHFFFAOYSA-N |