methyl 4-[6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
methyl 4-[6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | C390-0705 |
| Compound Name: | methyl 4-[6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C17 H13 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)C1c2c(c3cccs3)n[nH]c2C(N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7774 |
| logD: | 2.7774 |
| logSw: | -3.2598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.236 |
| InChI Key: | ZPXTWJIKNYPEBK-CYBMUJFWSA-N |