6-(3,4-dimethoxyphenyl)-7-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-7-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
6-(3,4-dimethoxyphenyl)-7-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V011-2238 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-7-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 539.57 |
| Molecular Formula: | C24 H25 N7 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1cnc2ncnn2c1N1CCCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8987 |
| logD: | 2.8911 |
| logSw: | -3.4215 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 114.741 |
| InChI Key: | KFQZXRVTFSYRKJ-UHFFFAOYSA-N |