3-[2-(3,4-dimethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]benzonitrile
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]benzonitrile
3-[2-(3,4-dimethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | T202-0025 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]benzonitrile |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COc1ccc(cc1OC)c1cc2CN(CCCn2n1)S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5898 |
| logD: | 2.5898 |
| logSw: | -2.8796 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.797 |
| InChI Key: | HUDUZGIRFYASIU-UHFFFAOYSA-N |