7-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V014-6161 |
| Compound Name: | 7-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C25 H28 N6 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3236 |
| logD: | 4.314 |
| logSw: | -4.0799 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.642 |
| InChI Key: | MPGOBCQNNUAKJC-UHFFFAOYSA-N |