5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1097 |
| Compound Name: | 5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(C2=C(N(C)C(N(C)C2=O)=S)O)=NN1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2513 |
| logD: | -0.9085 |
| logSw: | -2.578 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.52 |
| InChI Key: | NXFRJEMXGPDGBI-MRXNPFEDSA-N |