N'-(3-chlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)urea
Chemical Structure Depiction of
N'-(3-chlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)urea
N'-(3-chlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V015-3899 |
| Compound Name: | N'-(3-chlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)urea |
| Molecular Weight: | 513.06 |
| Molecular Formula: | C27 H34 Cl F N6 O |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(C(C)C)C(Nc2cccc(c2)[Cl])=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.6063 |
| logD: | 3.5376 |
| logSw: | -5.7632 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.227 |
| InChI Key: | BODCKQTXAOECMP-UHFFFAOYSA-N |