2-methyl-4-[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine
Chemical Structure Depiction of
2-methyl-4-[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine
2-methyl-4-[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine
Compound characteristics
| Compound ID: | D430-1047 |
| Compound Name: | 2-methyl-4-[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]-6-(pyrrolidin-1-yl)pyrimidine |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C20 H27 N5 O2 S |
| Smiles: | Cc1cccc(c1)S(N1CCN(CC1)c1cc(nc(C)n1)N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.067 |
| logD: | 4.004 |
| logSw: | -4.0337 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.139 |
| InChI Key: | DYNOBUBUPJQKJT-UHFFFAOYSA-N |