2-(3,4-diethoxyphenyl)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,4-diethoxyphenyl)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(3,4-diethoxyphenyl)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P803-1499 |
| Compound Name: | 2-(3,4-diethoxyphenyl)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 476.62 |
| Molecular Formula: | C28 H36 N4 O3 |
| Smiles: | CCOc1ccc(CC(N2CCCN(CC2)c2cc(c3ccc(C)c(C)c3)n[nH]2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.8948 |
| logD: | 4.8948 |
| logSw: | -4.5504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.324 |
| InChI Key: | IOFDVCZYIAHJFU-UHFFFAOYSA-N |