4-[1-acetyl-3-(6-hydroxy-1,3-dimethyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-[1-acetyl-3-(6-hydroxy-1,3-dimethyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]-2,6-dimethoxyphenyl acetate
4-[1-acetyl-3-(6-hydroxy-1,3-dimethyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | D364-1098 |
| Compound Name: | 4-[1-acetyl-3-(6-hydroxy-1,3-dimethyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C21 H24 N4 O7 S |
| Smiles: | CC(N1C(CC(C2=C(N(C)C(N(C)C2=O)=S)O)=N1)c1cc(c(c(c1)OC)OC(C)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3703 |
| logD: | -2.7895 |
| logSw: | -1.4492 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.705 |
| InChI Key: | NWNZESUTYGVLDJ-CQSZACIVSA-N |