2-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}benzonitrile
2-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V009-5760 |
| Compound Name: | 2-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}benzonitrile |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C25 H25 N7 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1cnc2ncnn2c1N1CCCN(CC1)S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6443 |
| logD: | 2.6367 |
| logSw: | -3.0581 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 98.415 |
| InChI Key: | HIXPJNWYIGJRFT-UHFFFAOYSA-N |