5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1696 |
| Compound Name: | 5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | CCC(N1C(CC(C2=C(NC(N(C)C2=O)=S)O)=N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4942 |
| logD: | -2.4885 |
| logSw: | -2.4145 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.262 |
| InChI Key: | IZTNIMKRPCWPGL-LLVKDONJSA-N |