2-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
2-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V002-8456 |
| Compound Name: | 2-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 532.71 |
| Molecular Formula: | C29 H36 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)S(N1CCN(CC1)c1nc2nccc(c3ccc(cc3)C(C)(C)C)n2n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1392 |
| logD: | 7.1391 |
| logSw: | -5.7802 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.111 |
| InChI Key: | XXLQTLMGOAARHW-UHFFFAOYSA-N |