{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | P803-1564 |
| Compound Name: | {4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(c1ccc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.278 |
| logD: | 5.278 |
| logSw: | -5.1828 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.45 |
| InChI Key: | CBWFRXSWPRXCRQ-UHFFFAOYSA-N |