7-[4-(3,4-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(3,4-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(3,4-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V003-0682 |
| Compound Name: | 7-[4-(3,4-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 500.53 |
| Molecular Formula: | C23 H22 F2 N6 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1cnc2ncnn2c1N1CCCN(CC1)S(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.756 |
| logD: | 3.7465 |
| logSw: | -3.9684 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.642 |
| InChI Key: | ZEQNSXBCOWXONW-UHFFFAOYSA-N |