N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0232 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C22 H31 N5 O S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(c2cnc(nc2C)SC)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6729 |
| logD: | 2.5263 |
| logSw: | -3.8198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.827 |
| InChI Key: | IIHUMTPNOIARDQ-UHFFFAOYSA-N |