1-[6-methyl-1-phenyl-4-(piperidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-methyl-1-phenyl-4-(piperidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
1-[6-methyl-1-phenyl-4-(piperidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6623-0987 |
| Compound Name: | 1-[6-methyl-1-phenyl-4-(piperidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 327.45 |
| Molecular Formula: | C18 H21 N3 O S |
| Smiles: | CC1=C(C(=NC(N1c1ccccc1)=S)N1CCCCC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3898 |
| logD: | 2.3832 |
| logSw: | -2.4193 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.6936 |
| InChI Key: | PNKGZSUSUOQDNL-UHFFFAOYSA-N |