7-[4-(4-chloro-2,5-dimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(4-chloro-2,5-dimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(4-chloro-2,5-dimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V003-0631 |
| Compound Name: | 7-[4-(4-chloro-2,5-dimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 557.07 |
| Molecular Formula: | C26 H29 Cl N6 O4 S |
| Salt: | not_available |
| Smiles: | Cc1cc(c(C)cc1S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7565 |
| logD: | 4.7489 |
| logSw: | -4.9205 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.359 |
| InChI Key: | ILMBKUJFALMCIT-UHFFFAOYSA-N |