(3,4-dimethylphenyl){4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(3,4-dimethylphenyl){4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
(3,4-dimethylphenyl){4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1511 |
| Compound Name: | (3,4-dimethylphenyl){4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C25 H30 N4 O |
| Smiles: | Cc1ccc(cc1C)C(N1CCCN(CC1)c1cc(c2ccc(C)c(C)c2)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4076 |
| logD: | 5.4076 |
| logSw: | -5.3365 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.431 |
| InChI Key: | PWSAMPJAEXRSJX-UHFFFAOYSA-N |