1-[1-benzyl-6-methyl-4-(piperidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-benzyl-6-methyl-4-(piperidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
1-[1-benzyl-6-methyl-4-(piperidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6623-1048 |
| Compound Name: | 1-[1-benzyl-6-methyl-4-(piperidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 341.47 |
| Molecular Formula: | C19 H23 N3 O S |
| Smiles: | CC1=C(C(=NC(N1Cc1ccccc1)=S)N1CCCCC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.987 |
| logD: | 2.9867 |
| logSw: | -3.0589 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.3051 |
| InChI Key: | YXACLGLKHLBGDU-UHFFFAOYSA-N |