(5-bromofuran-2-yl){4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(5-bromofuran-2-yl){4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
(5-bromofuran-2-yl){4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1008 |
| Compound Name: | (5-bromofuran-2-yl){4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 449.73 |
| Molecular Formula: | C19 H18 Br Cl N4 O2 |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)[Cl])n[nH]1)C(c1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5092 |
| logD: | 4.5092 |
| logSw: | -4.6614 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.357 |
| InChI Key: | YYWPZORREPQNNR-UHFFFAOYSA-N |