7-[(3-chlorophenyl)methyl]-N-cyclooctyl-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-[(3-chlorophenyl)methyl]-N-cyclooctyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
7-[(3-chlorophenyl)methyl]-N-cyclooctyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
Compound characteristics
| Compound ID: | E021-0637 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-N-cyclooctyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide |
| Molecular Weight: | 484.06 |
| Molecular Formula: | C26 H30 Cl N3 O2 S |
| Smiles: | CC1(Cn2c(cc3c2ccs3)C(N1Cc1cccc(c1)[Cl])=O)C(NC1CCCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6416 |
| logD: | 6.6416 |
| logSw: | -6.1505 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.086 |
| InChI Key: | KMHYWQBLCGHPGC-SANMLTNESA-N |