9-methyl-N-[3-(methylsulfanyl)phenyl]-4-phenyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Chemical Structure Depiction of
9-methyl-N-[3-(methylsulfanyl)phenyl]-4-phenyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
9-methyl-N-[3-(methylsulfanyl)phenyl]-4-phenyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G281-2764 |
| Compound Name: | 9-methyl-N-[3-(methylsulfanyl)phenyl]-4-phenyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 500.68 |
| Molecular Formula: | C28 H28 N4 O S2 |
| Smiles: | CN1CCc2c3CN(C(c4ccccc4)c4cccn4c3sc2C1)C(Nc1cccc(c1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9788 |
| logD: | 4.2149 |
| logSw: | -5.5102 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3533 |
| InChI Key: | IOQLBUJUXRTCOL-SANMLTNESA-N |