5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1167 |
| Compound Name: | 5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)C(C)C)N(C(C)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8504 |
| logD: | -0.1323 |
| logSw: | -3.7076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.354 |
| InChI Key: | YRACXXCIUYAYHF-GOSISDBHSA-N |