5-[(2,5-dimethylphenyl)methyl]-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-(methoxymethyl)-2-(propan-2-yl)pyrimidine
Chemical Structure Depiction of
5-[(2,5-dimethylphenyl)methyl]-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-(methoxymethyl)-2-(propan-2-yl)pyrimidine
5-[(2,5-dimethylphenyl)methyl]-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-(methoxymethyl)-2-(propan-2-yl)pyrimidine
Compound characteristics
Compound ID: | V003-3759 |
Compound Name: | 5-[(2,5-dimethylphenyl)methyl]-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-(methoxymethyl)-2-(propan-2-yl)pyrimidine |
Molecular Weight: | 460.64 |
Molecular Formula: | C24 H36 N4 O3 S |
Smiles: | CCS(N1CCN(CC1)c1c(Cc2cc(C)ccc2C)c(COC)nc(C(C)C)n1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9207 |
logD: | 4.5442 |
logSw: | -4.7042 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.298 |
InChI Key: | KIAQOCRWZMMSMC-UHFFFAOYSA-N |