1-[2-phenyl-4-(pyrrolidin-1-yl)-6-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-phenyl-4-(pyrrolidin-1-yl)-6-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethan-1-one
1-[2-phenyl-4-(pyrrolidin-1-yl)-6-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8006-2461 |
| Compound Name: | 1-[2-phenyl-4-(pyrrolidin-1-yl)-6-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 299.39 |
| Molecular Formula: | C16 H17 N3 O S |
| Smiles: | CC(C1=C(N=C(c2ccccc2)NC1=S)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5771 |
| logD: | 0.7998 |
| logSw: | -2.9421 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.549 |
| InChI Key: | ZLELLENQJOISGK-UHFFFAOYSA-N |