2-chloro-6-(4-{4-[6-(4-methoxyphenyl)[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-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfonyl}phenoxy)benzonitrile
2-chloro-6-(4-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfonyl}phenoxy)benzonitrile
Compound characteristics
| Compound ID: | V002-1601 |
| Compound Name: | 2-chloro-6-(4-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfonyl}phenoxy)benzonitrile |
| Molecular Weight: | 602.07 |
| Molecular Formula: | C29 H24 Cl N7 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1cnc2ncnn2c1N1CCN(CC1)S(c1ccc(cc1)Oc1cccc(c1C#N)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6642 |
| logD: | 4.6546 |
| logSw: | -5.0927 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.202 |
| InChI Key: | LTMFGPDMHHGRMR-UHFFFAOYSA-N |