ethyl 2-{[3-methyl-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
ethyl 2-{[3-methyl-6-(4-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
ethyl 2-{[3-methyl-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: | G544-0908 |
| Compound Name: | ethyl 2-{[3-methyl-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: | CCOC(c1ccccc1NC(N1Cc2c(C)nn(c3ccccc3)c2n2cccc2C1c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.13 |
| logD: | 7.1299 |
| logSw: | -5.7676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.051 |
| InChI Key: | RTBWNGSELDACET-SSEXGKCCSA-N |