cyclohexyl{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
cyclohexyl{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
cyclohexyl{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1503 |
| Compound Name: | cyclohexyl{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 380.53 |
| Molecular Formula: | C23 H32 N4 O |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1301 |
| logD: | 5.1301 |
| logSw: | -4.9435 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.624 |
| InChI Key: | ZVXXNMRCUDECLR-UHFFFAOYSA-N |