1-{[(2S)-1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4,4-difluoropyrrolidin-2-yl]methyl}azepane
Chemical Structure Depiction of
1-{[(2S)-1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4,4-difluoropyrrolidin-2-yl]methyl}azepane
1-{[(2S)-1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4,4-difluoropyrrolidin-2-yl]methyl}azepane
Compound characteristics
| Compound ID: | CM4573-4141 |
| Compound Name: | 1-{[(2S)-1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4,4-difluoropyrrolidin-2-yl]methyl}azepane |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C23 H32 F2 N4 O2 |
| Smiles: | COc1ccc(c(c1)c1c(CN2CC(C[C@H]2CN2CCCCCC2)(F)F)c[nH]n1)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.6903 |
| logD: | 3.6305 |
| logSw: | -4.0029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.51 |
| InChI Key: | HPXTZXJKFBZRGE-SFHVURJKSA-N |