N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-(4-nitrophenyl)-N-(propan-2-yl)urea
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-(4-nitrophenyl)-N-(propan-2-yl)urea
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-(4-nitrophenyl)-N-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V007-6393 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-(4-nitrophenyl)-N-(propan-2-yl)urea |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C27 H34 F N7 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(C(C)C)C(Nc2ccc(cc2)[N+]([O-])=O)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.7784 |
| logD: | 2.7097 |
| logSw: | -4.5139 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.608 |
| InChI Key: | HTXIZIXQALBKDG-UHFFFAOYSA-N |