N-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}phenyl)acetamide
N-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}phenyl)acetamide
Compound characteristics
| Compound ID: | P803-1072 |
| Compound Name: | N-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}phenyl)acetamide |
| Molecular Weight: | 437.93 |
| Molecular Formula: | C23 H24 Cl N5 O2 |
| Smiles: | CC(Nc1ccc(cc1)C(N1CCCN(CC1)c1cc(c2ccc(cc2)[Cl])n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4394 |
| logD: | 3.4392 |
| logSw: | -3.9555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.693 |
| InChI Key: | XXEFKZXTZRBYPU-UHFFFAOYSA-N |