5-[1-acetyl-5-(4-nitrophenyl)-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-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[1-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1177 |
| Compound Name: | 5-[1-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C19 H21 N5 O5 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)[N+]([O-])=O)N(C(C)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4379 |
| logD: | -1.5448 |
| logSw: | -2.8413 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.736 |
| InChI Key: | BHICUTPCROIUEU-OAHLLOKOSA-N |