(4-methylphenyl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(4-methylphenyl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone
(4-methylphenyl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | P803-0871 |
| Compound Name: | (4-methylphenyl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 360.46 |
| Molecular Formula: | C22 H24 N4 O |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1cc(c2ccccc2)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9618 |
| logD: | 3.9618 |
| logSw: | -3.973 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.431 |
| InChI Key: | WPDNFQMCINVTHJ-UHFFFAOYSA-N |