(1H-benzimidazol-5-yl){4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(1H-benzimidazol-5-yl){4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
(1H-benzimidazol-5-yl){4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1908 |
| Compound Name: | (1H-benzimidazol-5-yl){4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C23 H24 N6 O2 |
| Smiles: | COc1ccc(cc1)c1cc([nH]n1)N1CCCN(CC1)C(c1ccc2c(c1)nc[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8014 |
| logD: | 2.7935 |
| logSw: | -3.3053 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.505 |
| InChI Key: | XUAHLRPWZOIXHW-UHFFFAOYSA-N |