ethyl methyl 4,4'-[6-oxo-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-4,5(1H)-diyl]dibenzoate
Chemical Structure Depiction of
ethyl methyl 4,4'-[6-oxo-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-4,5(1H)-diyl]dibenzoate
ethyl methyl 4,4'-[6-oxo-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-4,5(1H)-diyl]dibenzoate
Compound characteristics
| Compound ID: | C390-0520 |
| Compound Name: | ethyl methyl 4,4'-[6-oxo-3-(thiophen-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-4,5(1H)-diyl]dibenzoate |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C26 H21 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2ccc(cc2)C(=O)OC)c2c(c3cccs3)n[nH]c2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3289 |
| logD: | 5.3289 |
| logSw: | -5.3529 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.473 |
| InChI Key: | ZEGHWSCMDUFNCS-HSZRJFAPSA-N |