methyl 4-[5-(2-methoxyethyl)-6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(2-methoxyethyl)-6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
methyl 4-[5-(2-methoxyethyl)-6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | 8020-1617 |
| Compound Name: | methyl 4-[5-(2-methoxyethyl)-6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | COCCN1C(c2ccc(cc2)C(=O)OC)c2c(c3cccs3)n[nH]c2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3273 |
| logD: | 3.3272 |
| logSw: | -3.4349 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.923 |
| InChI Key: | XMDBDEGVXKHRSI-GOSISDBHSA-N |