{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-triethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-triethoxyphenyl)methanone
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-triethoxyphenyl)methanone
Compound characteristics
| Compound ID: | P803-1490 |
| Compound Name: | {4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-triethoxyphenyl)methanone |
| Molecular Weight: | 506.65 |
| Molecular Formula: | C29 H38 N4 O4 |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(N1CCCN(CC1)c1cc(c2ccc(C)c(C)c2)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1796 |
| logD: | 5.1796 |
| logSw: | -4.9552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.149 |
| InChI Key: | ODIULDOVUITFNR-UHFFFAOYSA-N |