methyl 2-{[6-(4-fluorophenyl)-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 2-{[6-(4-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
methyl 2-{[6-(4-fluorophenyl)-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: | G544-0469 |
| Compound Name: | methyl 2-{[6-(4-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 535.58 |
| Molecular Formula: | C31 H26 F N5 O3 |
| Smiles: | Cc1c2CN(C(c3ccc(cc3)F)c3cccn3c2n(c2ccccc2)n1)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.192 |
| logD: | 6.1919 |
| logSw: | -5.6267 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.472 |
| InChI Key: | YLTMMEXXBXQBIG-MUUNZHRXSA-N |