N-cyclooctyl-7-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-3-phenyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of
N-cyclooctyl-7-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-3-phenyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
N-cyclooctyl-7-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-3-phenyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | E850-0625 |
| Compound Name: | N-cyclooctyl-7-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-3-phenyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 565.78 |
| Molecular Formula: | C35 H39 N3 O2 S |
| Smiles: | Cc1ccc2cc3C(N(Cc4ccc(cc4)SC)C(Cn3c2c1)(C(NC1CCCCCCC1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.7473 |
| logD: | 8.7473 |
| logSw: | -5.8964 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.206 |
| InChI Key: | TUAIBDNHTDMXLX-PGUFJCEWSA-N |