N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(methylsulfanyl)-4-propylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(methylsulfanyl)-4-propylpyrimidine-5-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(methylsulfanyl)-4-propylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-1483 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(methylsulfanyl)-4-propylpyrimidine-5-carboxamide |
| Molecular Weight: | 434 |
| Molecular Formula: | C21 H28 Cl N5 O S |
| Smiles: | CCCc1c(cnc(n1)SC)C(NCCN1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9256 |
| logD: | 3.9014 |
| logSw: | -4.2994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.817 |
| InChI Key: | MOEFYACYVXHGKP-UHFFFAOYSA-N |