5-[1-acetyl-5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[1-acetyl-5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
5-[1-acetyl-5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0751 |
| Compound Name: | 5-[1-acetyl-5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C20 H22 N4 O6 |
| Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2ccc3c(c2)OCO3)N(C(C)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.156 |
| logD: | -2.9094 |
| logSw: | -2.8732 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.632 |
| InChI Key: | MILXXFDHSFHQOQ-CQSZACIVSA-N |