2-(4-chlorophenyl)-1-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(4-chlorophenyl)-1-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | P803-0903 |
| Compound Name: | 2-(4-chlorophenyl)-1-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 394.9 |
| Molecular Formula: | C22 H23 Cl N4 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccccc2)n[nH]1)C(Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4124 |
| logD: | 4.4124 |
| logSw: | -4.6427 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.904 |
| InChI Key: | RKFHVRVBJLHIRD-UHFFFAOYSA-N |