5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1241 |
| Compound Name: | 5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 412.4 |
| Molecular Formula: | C20 H20 N4 O6 |
| Smiles: | CCC(N1C(CC(C2=C(NC(N(CC=C)C2=O)=O)O)=N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8583 |
| logD: | -2.9204 |
| logSw: | -2.5243 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.637 |
| InChI Key: | FEZSVQVMQMPHDP-CYBMUJFWSA-N |