N-(butan-2-yl)-N'-(3-chlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-(3-chlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}urea
N-(butan-2-yl)-N'-(3-chlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}urea
Compound characteristics
| Compound ID: | V017-2683 |
| Compound Name: | N-(butan-2-yl)-N'-(3-chlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}urea |
| Molecular Weight: | 527.09 |
| Molecular Formula: | C28 H36 Cl F N6 O |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1c(C)nn(c2cccc(c2)F)c1N1CCN(CC)CC1)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0704 |
| logD: | 4.0018 |
| logSw: | -6.061 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.811 |
| InChI Key: | XKBRYSUDWTUQMZ-FQEVSTJZSA-N |