3-methyl-N-(3-methylbutyl)-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of
3-methyl-N-(3-methylbutyl)-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
3-methyl-N-(3-methylbutyl)-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | E234-2039 |
| Compound Name: | 3-methyl-N-(3-methylbutyl)-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | CC(C)CCNC(C1(C)Cn2c(cc3ccccc23)C(N1c1cccc(c1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9318 |
| logD: | 4.9318 |
| logSw: | -5.1901 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.513 |
| InChI Key: | JTDDETOJJJTFSZ-VWLOTQADSA-N |