2-(4-fluorophenyl)-5-propyl-4-[({2-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-5-propyl-4-[({2-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(4-fluorophenyl)-5-propyl-4-[({2-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-7093 |
| Compound Name: | 2-(4-fluorophenyl)-5-propyl-4-[({2-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 521.68 |
| Molecular Formula: | C30 H40 F N5 O2 |
| Smiles: | CCCC1\C(=C/NCCN2CCN(CC2)C(C23CC4CC(CC(C4)C3)C2)=O)C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2302 |
| logD: | 4.025 |
| logSw: | -4.0022 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.763 |
| InChI Key: | GYYSKZPQOZNGSA-UHFFFAOYSA-N |