{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3-methylthiophen-2-yl)methanone
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | P803-1054 |
| Compound Name: | {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 400.93 |
| Molecular Formula: | C20 H21 Cl N4 O S |
| Smiles: | Cc1ccsc1C(N1CCCN(CC1)c1cc(c2ccc(cc2)[Cl])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7404 |
| logD: | 4.7404 |
| logSw: | -4.8424 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.45 |
| InChI Key: | KQSRGFIVUSPKRQ-UHFFFAOYSA-N |