7-(4-tert-butylphenyl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(4-tert-butylphenyl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
7-(4-tert-butylphenyl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V002-5030 |
| Compound Name: | 7-(4-tert-butylphenyl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 521.6 |
| Molecular Formula: | C25 H27 N7 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)c1ccnc2nc(nn12)N1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0304 |
| logD: | 5.0303 |
| logSw: | -4.7872 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.493 |
| InChI Key: | HNJOONJYHYVDJC-UHFFFAOYSA-N |