7-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
Chemical Structure Depiction of
7-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
7-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
Compound characteristics
| Compound ID: | E021-1151 |
| Compound Name: | 7-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCc1cc2c(cc3C(N(Cc4ccc5c(c4)OCO5)C(C)(Cn23)C(NC2CCCCC2)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7766 |
| logD: | 5.7766 |
| logSw: | -5.3244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.871 |
| InChI Key: | ZATBMSOXJNYAPB-MHZLTWQESA-N |