(2-chlorophenyl){4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2-chlorophenyl){4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
(2-chlorophenyl){4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1299 |
| Compound Name: | (2-chlorophenyl){4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C21 H20 Cl F N4 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)F)n[nH]1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0865 |
| logD: | 4.0865 |
| logSw: | -4.3569 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.431 |
| InChI Key: | YVNNIYYVAFIEDD-UHFFFAOYSA-N |