3-butyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
3-butyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
3-butyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0542 |
| Compound Name: | 3-butyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C18 H22 N4 O4 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(c(c2)O)OC)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9411 |
| logD: | -2.2381 |
| logSw: | -2.7358 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.238 |
| InChI Key: | NPERKFKIVASEHE-LLVKDONJSA-N |