3-methyl-N-[3-(methylsulfanyl)phenyl]-1-phenyl-6-[4-(propan-2-yl)phenyl]-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Chemical Structure Depiction of
3-methyl-N-[3-(methylsulfanyl)phenyl]-1-phenyl-6-[4-(propan-2-yl)phenyl]-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
3-methyl-N-[3-(methylsulfanyl)phenyl]-1-phenyl-6-[4-(propan-2-yl)phenyl]-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G544-0871 |
| Compound Name: | 3-methyl-N-[3-(methylsulfanyl)phenyl]-1-phenyl-6-[4-(propan-2-yl)phenyl]-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 547.72 |
| Molecular Formula: | C33 H33 N5 O S |
| Smiles: | CC(C)c1ccc(cc1)C1c2cccn2c2c(CN1C(Nc1cccc(c1)SC)=O)c(C)nn2c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.8415 |
| logD: | 7.8415 |
| logSw: | -5.6703 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.995 |
| InChI Key: | IYJNUEAMSAEJBZ-WJOKGBTCSA-N |