5-[1-acetyl-5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1066 |
| Compound Name: | 5-[1-acetyl-5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 468.85 |
| Molecular Formula: | C22 H17 Cl N4 O6 |
| Smiles: | CC(N1C(CC(C2=C(NC(N(C2=O)c2cccc(c2)[Cl])=O)O)=N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.494 |
| logD: | -2.9383 |
| logSw: | -3.383 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.771 |
| InChI Key: | WMDIZSYASQPQKQ-MRXNPFEDSA-N |