3-butyl-6-hydroxy-2-sulfanylidene-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
3-butyl-6-hydroxy-2-sulfanylidene-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one
3-butyl-6-hydroxy-2-sulfanylidene-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0531 |
| Compound Name: | 3-butyl-6-hydroxy-2-sulfanylidene-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2cc(c(c(c2)OC)OC)OC)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2693 |
| logD: | -1.91 |
| logSw: | -2.8394 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.037 |
| InChI Key: | HJHXTJASIKEHJC-GFCCVEGCSA-N |