{4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Chemical Structure Depiction of
{4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
{4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | P803-0512 |
| Compound Name: | {4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc3c(c2)OCO3)n[nH]1)C(c1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1932 |
| logD: | 2.1908 |
| logSw: | -2.6168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.975 |
| InChI Key: | GPVUTRNKZFKYOB-UHFFFAOYSA-N |