(1H-benzimidazol-5-yl){4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(1H-benzimidazol-5-yl){4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
(1H-benzimidazol-5-yl){4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1264 |
| Compound Name: | (1H-benzimidazol-5-yl){4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 465.35 |
| Molecular Formula: | C22 H21 Br N6 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)[Br])n[nH]1)C(c1ccc2c(c1)nc[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6529 |
| logD: | 3.645 |
| logSw: | -3.9636 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.961 |
| InChI Key: | VKVHBRXGTHWWLU-UHFFFAOYSA-N |