1-{4-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]phenyl}ethan-1-one
1-{4-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | P218-2577 |
| Compound Name: | 1-{4-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]phenyl}ethan-1-one |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCCn2c(C1)cc(c1ccc(cc1)OC)n2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9728 |
| logD: | 2.9728 |
| logSw: | -3.4393 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.85 |
| InChI Key: | CREWCMVOKFCTEG-UHFFFAOYSA-N |