2-(4-methoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(4-methoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P803-1800 |
| Compound Name: | 2-(4-methoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | COc1ccc(CC(N2CCCN(CC2)c2cc(c3ccc(cc3)OC)n[nH]2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8875 |
| logD: | 3.8875 |
| logSw: | -4.0404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.992 |
| InChI Key: | XAWBOQZRMNKQEU-UHFFFAOYSA-N |