{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | P803-1242 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 445.38 |
| Molecular Formula: | C20 H21 Br N4 O S |
| Smiles: | Cc1ccc(C(N2CCCN(CC2)c2cc(c3ccc(cc3)[Br])n[nH]2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2496 |
| logD: | 5.2496 |
| logSw: | -5.08 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.45 |
| InChI Key: | YNCYRQPTUZGJPT-UHFFFAOYSA-N |