4-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(methylsulfanyl)pyrimidine-5-carboxamide
4-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-1150 |
| Compound Name: | 4-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C22 H31 N5 O2 S |
| Smiles: | CCc1c(cnc(n1)SC)C(NCCCN1CCN(CC1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0452 |
| logD: | 2.5013 |
| logSw: | -3.3269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.361 |
| InChI Key: | BZQYGLQSCRRZGA-UHFFFAOYSA-N |