3-butyl-6-hydroxy-5-[5-(4-methoxyphenyl)-1-propanoyl-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-(4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
3-butyl-6-hydroxy-5-[5-(4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1717 |
| Compound Name: | 3-butyl-6-hydroxy-5-[5-(4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)OC)N(C(CC)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.022 |
| logD: | -0.9607 |
| logSw: | -3.3029 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.903 |
| InChI Key: | HTEZNDSZROYNPI-MRXNPFEDSA-N |