6-benzyl-7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-benzyl-7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
6-benzyl-7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V004-0341 |
| Compound Name: | 6-benzyl-7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C27 H32 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)S(N1CCN(CC1)c1c(Cc2ccccc2)c(C)nc2ncnn12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6334 |
| logD: | 5.5978 |
| logSw: | -5.4651 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.822 |
| InChI Key: | DSEFWGOOZPJKTA-UHFFFAOYSA-N |