N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-propyl-1H-pyrazol-4-yl]methyl}-N-[(thiophen-2-yl)methyl]propan-1-amine
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-propyl-1H-pyrazol-4-yl]methyl}-N-[(thiophen-2-yl)methyl]propan-1-amine
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-propyl-1H-pyrazol-4-yl]methyl}-N-[(thiophen-2-yl)methyl]propan-1-amine
Compound characteristics
| Compound ID: | V025-9026 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-propyl-1H-pyrazol-4-yl]methyl}-N-[(thiophen-2-yl)methyl]propan-1-amine |
| Molecular Weight: | 483.69 |
| Molecular Formula: | C27 H38 F N5 S |
| Smiles: | CCCc1c(CN(CCC)Cc2cccs2)c(N2CCN(CC)CC2)n(c2cccc(c2)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9475 |
| logD: | 0.9416 |
| logSw: | -5.7349 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.8487 |
| InChI Key: | OBQNDIQYMKHNRX-UHFFFAOYSA-N |