6-(4-methoxyphenyl)-7-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-(4-methoxyphenyl)-7-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
6-(4-methoxyphenyl)-7-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V011-4503 |
| Compound Name: | 6-(4-methoxyphenyl)-7-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 509.54 |
| Molecular Formula: | C23 H23 N7 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1cnc2ncnn2c1N1CCCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3186 |
| logD: | 3.309 |
| logSw: | -3.7137 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 107.023 |
| InChI Key: | CHRIFRUCKSFSQK-UHFFFAOYSA-N |