5-[5-(2H-1,3-benzodioxol-5-yl)-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)-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)-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: | D364-0051 |
| Compound Name: | 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 356.34 |
| Molecular Formula: | C17 H16 N4 O5 |
| Smiles: | C=CCN1C(C(=C(NC1=O)O)C1CC(c2ccc3c(c2)OCO3)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.35 |
| logD: | -3.6253 |
| logSw: | -2.0449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.337 |
| InChI Key: | ZZWUGEQIVBPBHW-SNVBAGLBSA-N |