ethyl 4-[4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
ethyl 4-[4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Compound characteristics
| Compound ID: | C390-0525 |
| Compound Name: | ethyl 4-[4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C26 H23 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2ccc(c(c2)OCC)O)c2c(c3cccs3)n[nH]c2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0027 |
| logD: | 4.9971 |
| logSw: | -4.306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.058 |
| InChI Key: | DEVFDDIWKRNTOL-XMMPIXPASA-N |