5-[1-acetyl-5-(5-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[1-acetyl-5-(5-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
5-[1-acetyl-5-(5-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1041 |
| Compound Name: | 5-[1-acetyl-5-(5-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CC(N1C(CC(C2=C(NC(N(C2=O)c2cc(C)cc(C)c2)=O)O)=N1)c1ccc(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2832 |
| logD: | -2.1491 |
| logSw: | -3.3135 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.674 |
| InChI Key: | GWTJHUMLYMSWAE-KRWDZBQOSA-N |