methyl 3-{[6-(3-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[6-(3-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[6-(3-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G544-1336 |
| Compound Name: | methyl 3-{[6-(3-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 541.6 |
| Molecular Formula: | C29 H24 F N5 O3 S |
| Smiles: | Cc1c2CN(C(c3cccc(c3)F)c3cccn3c2n(c2ccccc2)n1)C(Nc1ccsc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9428 |
| logD: | 5.9426 |
| logSw: | -5.5769 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.49 |
| InChI Key: | BUHYOAWFYOISNP-RUZDIDTESA-N |