N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5439 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=O)=O)C(NCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8511 |
| logD: | 3.3587 |
| logSw: | -3.9938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.59 |
| InChI Key: | MKILPWTUPANDMK-UHFFFAOYSA-N |