{4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(thiophen-3-yl)methanone
Chemical Structure Depiction of
{4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(thiophen-3-yl)methanone
{4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(thiophen-3-yl)methanone
Compound characteristics
| Compound ID: | P803-0457 |
| Compound Name: | {4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(thiophen-3-yl)methanone |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc3c(c2)OCO3)n[nH]1)C(c1ccsc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2567 |
| logD: | 3.2567 |
| logSw: | -3.4128 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.565 |
| InChI Key: | YMQGVVLIFZNZOB-UHFFFAOYSA-N |