2,3-dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of
2,3-dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
2,3-dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | C800-0692 |
| Compound Name: | 2,3-dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | CC1(Cn2c(cc3ccccc23)C(N1C)=O)C(NCC(NCCc1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3587 |
| logD: | 3.3587 |
| logSw: | -3.6736 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.362 |
| InChI Key: | KLUWRZDLLWWVAB-VWLOTQADSA-N |