6-hydroxy-3-methyl-2-sulfanylidene-5-[5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-3-methyl-2-sulfanylidene-5-[5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-3-methyl-2-sulfanylidene-5-[5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0497 |
| Compound Name: | 6-hydroxy-3-methyl-2-sulfanylidene-5-[5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2ccc(c(c2OC)OC)OC)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9401 |
| logD: | -3.2392 |
| logSw: | -2.1529 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.911 |
| InChI Key: | VPZPDBUINCOHFZ-SECBINFHSA-N |