7-{4-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-{4-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-{4-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V004-0329 |
| Compound Name: | 7-{4-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 566.99 |
| Molecular Formula: | C24 H22 Cl F3 N6 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1cnc2ncnn2c1N1CCCN(CC1)S(c1ccc(cc1[Cl])C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5464 |
| logD: | 4.5368 |
| logSw: | -4.7002 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.642 |
| InChI Key: | MVYYGDDKYJLMSU-UHFFFAOYSA-N |