6-(4-methoxyphenyl)-7-{4-[3-(trifluoromethoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-(4-methoxyphenyl)-7-{4-[3-(trifluoromethoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[1,5-a]pyrimidine
6-(4-methoxyphenyl)-7-{4-[3-(trifluoromethoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V011-2281 |
| Compound Name: | 6-(4-methoxyphenyl)-7-{4-[3-(trifluoromethoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 548.54 |
| Molecular Formula: | C24 H23 F3 N6 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1cnc2ncnn2c1N1CCCN(CC1)S(c1cccc(c1)OC(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4963 |
| logD: | 4.4867 |
| logSw: | -4.2559 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.579 |
| InChI Key: | IIYJDMAVZGNCAB-UHFFFAOYSA-N |