6-hydroxy-1,3-dimethyl-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-1,3-dimethyl-2-sulfanylidene-5-[5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-1,3-dimethyl-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: | D364-0462 |
| Compound Name: | 6-hydroxy-1,3-dimethyl-2-sulfanylidene-5-[5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C18 H22 N4 O5 S |
| Smiles: | CN1C(=C(C2CC(c3ccc(c(c3OC)OC)OC)NN=2)C(N(C)C1=S)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8487 |
| logD: | -2.5076 |
| logSw: | -2.0737 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.29 |
| InChI Key: | DTULSIQSEGKNQJ-SNVBAGLBSA-N |