1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-2-(thiophen-2-yl)azepane
Chemical Structure Depiction of
1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-2-(thiophen-2-yl)azepane
1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-2-(thiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J006-0824 |
| Compound Name: | 1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-2-(thiophen-2-yl)azepane |
| Molecular Weight: | 337.49 |
| Molecular Formula: | C20 H23 N3 S |
| Smiles: | C1CCC(c2cccs2)N(CC1)Cc1c[nH]nc1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4034 |
| logD: | 2.5926 |
| logSw: | -4.2165 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.0985 |
| InChI Key: | PGNCKXXCOVGMRK-SFHVURJKSA-N |