3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of
3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | E234-2537 |
| Compound Name: | 3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C27 H33 N3 O3 S |
| Smiles: | CC(C)OCCCNC(C1(C)Cn2c(cc3ccccc23)C(N1Cc1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8283 |
| logD: | 4.8283 |
| logSw: | -5.087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.326 |
| InChI Key: | ZGGBGQKWKALYOA-MHZLTWQESA-N |