methyl 3-{[6-(4-ethylphenyl)-3-methyl-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 3-{[6-(4-ethylphenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
methyl 3-{[6-(4-ethylphenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G544-1205 |
| Compound Name: | methyl 3-{[6-(4-ethylphenyl)-3-methyl-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: | CCc1ccc(cc1)C1c2cccn2c2c(CN1C(Nc1cccc(c1)C(=O)OC)=O)c(C)nn2c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2443 |
| logD: | 7.2443 |
| logSw: | -5.6405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.169 |
| InChI Key: | ZYWODADWQWBDCZ-SSEXGKCCSA-N |