ethyl 4-[(butan-2-yl){[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}amino]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(butan-2-yl){[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}amino]-4-oxobutanoate
ethyl 4-[(butan-2-yl){[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | V015-6339 |
| Compound Name: | ethyl 4-[(butan-2-yl){[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}amino]-4-oxobutanoate |
| Molecular Weight: | 501.64 |
| Molecular Formula: | C27 H40 F N5 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1c(C)nn(c2cccc(c2)F)c1N1CCN(CC)CC1)C(CCC(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0801 |
| logD: | 2.0114 |
| logSw: | -4.0976 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.894 |
| InChI Key: | IQQWINHVDCMZDS-FQEVSTJZSA-N |