2-chloro-6-(4-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfonyl}phenoxy)benzonitrile
Chemical Structure Depiction of
2-chloro-6-(4-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfonyl}phenoxy)benzonitrile
2-chloro-6-(4-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfonyl}phenoxy)benzonitrile
Compound characteristics
| Compound ID: | V003-0694 |
| Compound Name: | 2-chloro-6-(4-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfonyl}phenoxy)benzonitrile |
| Molecular Weight: | 632.1 |
| Molecular Formula: | C30 H26 Cl N7 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1cnc2ncnn2c1N1CCN(CC1)S(c1ccc(cc1)Oc1cccc(c1C#N)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2442 |
| logD: | 4.2367 |
| logSw: | -4.6947 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 104.919 |
| InChI Key: | AFXJXKQUSFIDRS-UHFFFAOYSA-N |