N-benzyl-3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of
N-benzyl-3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
N-benzyl-3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | E234-1971 |
| Compound Name: | N-benzyl-3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 469.61 |
| Molecular Formula: | C28 H27 N3 O2 S |
| Smiles: | CC1(Cn2c(cc3ccccc23)C(N1Cc1ccc(cc1)SC)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.662 |
| logD: | 5.662 |
| logSw: | -6.1084 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.012 |
| InChI Key: | YRDUVVMAERAXHJ-NDEPHWFRSA-N |