ethyl N-{3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl}-beta-alaninate
ethyl N-{3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | G544-0562 |
| Compound Name: | ethyl N-{3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl}-beta-alaninate |
| Molecular Weight: | 529.66 |
| Molecular Formula: | C29 H31 N5 O3 S |
| Smiles: | CCOC(CCNC(N1Cc2c(C)nn(c3ccccc3)c2n2cccc2C1c1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6391 |
| logD: | 5.6391 |
| logSw: | -5.4274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.589 |
| InChI Key: | FFOMIAQCERMLJQ-HHHXNRCGSA-N |