{4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
{4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | P803-0507 |
| Compound Name: | {4-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H24 N4 O3 |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1cc(c2ccc3c(c2)OCO3)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8656 |
| logD: | 3.8656 |
| logSw: | -3.8439 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.547 |
| InChI Key: | MCRBVWDTWKEFMV-UHFFFAOYSA-N |