methyl 2-{[3-ethyl-6-(4-methylphenyl)-1-phenyl-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-6-(4-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
methyl 2-{[3-ethyl-6-(4-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G544-0967 |
| Compound Name: | methyl 2-{[3-ethyl-6-(4-methylphenyl)-1-phenyl-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(c3ccc(C)cc3)c3cccn3c2n(c2ccccc2)n1)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1808 |
| logD: | 7.1807 |
| logSw: | -5.7694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.16 |
| InChI Key: | JUMDJVLBCXQCLY-SSEXGKCCSA-N |