ethyl 4-{6-oxo-4-[4-(propan-2-yl)phenyl]-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{6-oxo-4-[4-(propan-2-yl)phenyl]-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}benzoate
ethyl 4-{6-oxo-4-[4-(propan-2-yl)phenyl]-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}benzoate
Compound characteristics
| Compound ID: | C390-0517 |
| Compound Name: | ethyl 4-{6-oxo-4-[4-(propan-2-yl)phenyl]-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}benzoate |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2ccc(cc2)C(C)C)c2c(c3cccs3)n[nH]c2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5764 |
| logD: | 6.5764 |
| logSw: | -5.7348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.299 |
| InChI Key: | KEFIZCPJCNWBHF-RUZDIDTESA-N |