3-butyl-5-{5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
3-butyl-5-{5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
3-butyl-5-{5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0535 |
| Compound Name: | 3-butyl-5-{5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C21 H29 N5 O2 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)N(CC)CC)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4307 |
| logD: | -0.7485 |
| logSw: | -3.5498 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.796 |
| InChI Key: | QALQFNXBXUQAFB-MRXNPFEDSA-N |