1-[1-benzyl-6-methyl-4-(pyrrolidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-benzyl-6-methyl-4-(pyrrolidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
1-[1-benzyl-6-methyl-4-(pyrrolidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6623-0996 |
| Compound Name: | 1-[1-benzyl-6-methyl-4-(pyrrolidin-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(N1Cc1ccccc1)=S)N1CCCC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7335 |
| logD: | 2.7335 |
| logSw: | -2.8218 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.6711 |
| InChI Key: | CZFHZZCBGXNCAC-UHFFFAOYSA-N |