5-{1-acetyl-5-[4-(diethylamino)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-(diethylamino)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-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1165 |
| Compound Name: | 5-{1-acetyl-5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C23 H31 N5 O3 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)N(CC)CC)N(C(C)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3227 |
| logD: | -0.66 |
| logSw: | -3.2645 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.09 |
| InChI Key: | LYVTUESBDJZCOJ-LJQANCHMSA-N |