N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxamide
Chemical Structure Depiction of
N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxamide
N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxamide
Compound characteristics
| Compound ID: | C537-0819 |
| Compound Name: | N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxamide |
| Molecular Weight: | 425.59 |
| Molecular Formula: | C24 H31 N3 O2 S |
| Smiles: | CC1CCC(CC1)NC(C1c2cccn2CC(N1CCc1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9902 |
| logD: | 4.9901 |
| logSw: | -4.4643 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.75 |
| InChI Key: | FWSJUQMBSKYXTO-MCSCQSGASA-N |