{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | P803-1489 |
| Compound Name: | {4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C26 H32 N4 O4 |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2208 |
| logD: | 4.2208 |
| logSw: | -4.2029 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.409 |
| InChI Key: | HHIXVDLHDZIERC-UHFFFAOYSA-N |