N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-[4-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-[4-(methylsulfanyl)phenyl]urea
N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-[4-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | V024-4786 |
| Compound Name: | N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-[4-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 522.69 |
| Molecular Formula: | C28 H35 F N6 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(C2CC2)C(Nc2ccc(cc2)SC)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.436 |
| logD: | 3.3673 |
| logSw: | -5.3905 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.787 |
| InChI Key: | GWNNPGTZJIVSEC-UHFFFAOYSA-N |