{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2,3-dimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2,3-dimethoxyphenyl)methanone
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2,3-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | P803-1080 |
| Compound Name: | {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(2,3-dimethoxyphenyl)methanone |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C23 H25 Cl N4 O3 |
| Smiles: | COc1cccc(C(N2CCCN(CC2)c2cc(c3ccc(cc3)[Cl])n[nH]2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2255 |
| logD: | 4.2255 |
| logSw: | -4.5222 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.779 |
| InChI Key: | GNSOHLNTWYTIFT-UHFFFAOYSA-N |