ethyl 4-[(3-ethyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3-ethyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate
ethyl 4-[(3-ethyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G544-0770 |
| Compound Name: | ethyl 4-[(3-ethyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate |
| Molecular Weight: | 545.64 |
| Molecular Formula: | C33 H31 N5 O3 |
| Smiles: | CCc1c2CN(C(c3ccccc3)c3cccn3c2n(c2ccccc2)n1)C(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2425 |
| logD: | 7.2425 |
| logSw: | -5.8129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.438 |
| InChI Key: | BRKJENZBDNMADJ-SSEXGKCCSA-N |