6-(3,4-dimethoxyphenyl)-7-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-7-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[1,5-a]pyrimidine
6-(3,4-dimethoxyphenyl)-7-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V002-9200 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-7-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 562.57 |
| Molecular Formula: | C25 H25 F3 N6 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1cnc2ncnn2c1N1CCCN(CC1)S(c1ccccc1C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7601 |
| logD: | 3.7526 |
| logSw: | -3.8577 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.359 |
| InChI Key: | RUZQPDOQQSPOLE-UHFFFAOYSA-N |