7-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,3-dimethylcyclohexyl)-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-(2,3-dimethylcyclohexyl)-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-(2,3-dimethylcyclohexyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
Compound characteristics
| Compound ID: | E021-0286 |
| Compound Name: | 7-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,3-dimethylcyclohexyl)-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: | CC1CCCC(C1C)NC(C1(C)Cn2c(cc3c2ccs3)C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9579 |
| logD: | 4.9579 |
| logSw: | -4.6754 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.261 |
| InChI Key: | BLGYURADLBKTKD-UHFFFAOYSA-N |