ethyl 4-[{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)amino]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)amino]-4-oxobutanoate
ethyl 4-[{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | V015-5478 |
| Compound Name: | ethyl 4-[{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)amino]-4-oxobutanoate |
| Molecular Weight: | 501.64 |
| Molecular Formula: | C27 H40 F N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CC(C)C)C(CCC(=O)OCC)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 3.8869 |
| logD: | 1.8182 |
| logSw: | -3.9372 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.565 |
| InChI Key: | UPCKJRYMHKPSED-UHFFFAOYSA-N |