N-benzyl-6-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-benzyl-6-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-benzyl-6-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-1985 |
| Compound Name: | N-benzyl-6-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | C(CCC(NCc1ccccc1)=O)CCN1C(c2c(ccs2)N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2325 |
| logD: | 4.2325 |
| logSw: | -4.2283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.791 |
| InChI Key: | PVJLEEHNKREYQF-UHFFFAOYSA-N |