methyl 2-[(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
methyl 2-[(3-ethyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate
methyl 2-[(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: | G544-0753 |
| Compound Name: | methyl 2-[(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: | 531.61 |
| Molecular Formula: | C32 H29 N5 O3 |
| Smiles: | CCc1c2CN(C(c3ccccc3)c3cccn3c2n(c2ccccc2)n1)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7617 |
| logD: | 6.7616 |
| logSw: | -5.772 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.16 |
| InChI Key: | KVVYFVQSKSDYCU-GDLZYMKVSA-N |