3-butyl-6-hydroxy-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
3-butyl-6-hydroxy-2-sulfanylidene-5-[5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3-dihydropyrimidin-4(1H)-one
3-butyl-6-hydroxy-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: | D364-0532 |
| Compound Name: | 3-butyl-6-hydroxy-2-sulfanylidene-5-[5-(2,3,4-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(c2ccc(c(c2OC)OC)OC)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4478 |
| logD: | -1.7315 |
| logSw: | -2.9395 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.124 |
| InChI Key: | WIQJYYPVYSBHDB-GFCCVEGCSA-N |