{4-[4-(ethanesulfonyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
Chemical Structure Depiction of
{4-[4-(ethanesulfonyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
{4-[4-(ethanesulfonyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
Compound characteristics
| Compound ID: | V017-4719 |
| Compound Name: | {4-[4-(ethanesulfonyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C22 H29 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2cccc(C)c2)c(nc(CC#N)n1)N1CCN(CC1)S(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8485 |
| logD: | 3.8465 |
| logSw: | -3.9816 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.356 |
| InChI Key: | AJEOLHCCIBWKCD-UHFFFAOYSA-N |