{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(thiophen-3-yl)methanone
Chemical Structure Depiction of
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(thiophen-3-yl)methanone
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(thiophen-3-yl)methanone
Compound characteristics
| Compound ID: | P803-1055 |
| Compound Name: | {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(thiophen-3-yl)methanone |
| Molecular Weight: | 386.9 |
| Molecular Formula: | C19 H19 Cl N4 O S |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)[Cl])n[nH]1)C(c1ccsc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0527 |
| logD: | 4.0527 |
| logSw: | -4.4671 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.45 |
| InChI Key: | DOPKTLOCLKYBFY-UHFFFAOYSA-N |