1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
Chemical Structure Depiction of
1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J006-0717 |
| Compound Name: | 1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane |
| Molecular Weight: | 355.48 |
| Molecular Formula: | C20 H22 F N3 S |
| Smiles: | C1CCC(c2cccs2)N(CC1)Cc1c[nH]nc1c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5376 |
| logD: | 2.7267 |
| logSw: | -4.3039 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.0985 |
| InChI Key: | PFCQQTYYXOOKFI-SFHVURJKSA-N |