2-(4-bromophenyl)-1-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-bromophenyl)-1-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(4-bromophenyl)-1-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | P803-0964 |
| Compound Name: | 2-(4-bromophenyl)-1-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 439.35 |
| Molecular Formula: | C22 H23 Br N4 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccccc2)n[nH]1)C(Cc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6516 |
| logD: | 4.6516 |
| logSw: | -4.5686 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.904 |
| InChI Key: | MKEFNZLIDVGNIW-UHFFFAOYSA-N |