5-{1-acetyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-{1-acetyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-{1-acetyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1129 |
| Compound Name: | 5-{1-acetyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C18 H21 N5 O3 S |
| Smiles: | CC(N1C(CC(C2=C(NC(N(C)C2=O)=S)O)=N1)c1ccc(cc1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0946 |
| logD: | -2.8881 |
| logSw: | -2.1474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.946 |
| InChI Key: | WKIIMRJXSPDRKU-CQSZACIVSA-N |