{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone
{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | P803-1886 |
| Compound Name: | {4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1ccc(C(N2CCCN(CC2)c2cc(c3ccc(cc3)OC)n[nH]2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3981 |
| logD: | 4.3981 |
| logSw: | -4.2299 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.993 |
| InChI Key: | YTTWDGGZICANPB-UHFFFAOYSA-N |