N-[(2-chlorophenyl)methyl]-6-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-6-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
N-[(2-chlorophenyl)methyl]-6-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Compound characteristics
| Compound ID: | C241-1613 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-6-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide |
| Molecular Weight: | 547.07 |
| Molecular Formula: | C26 H31 Cl N4 O5 S |
| Smiles: | C(CCC(NCc1ccccc1[Cl])=O)CCN1C(c2c(ccs2)N(CC(NCC2CCCO2)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7883 |
| logD: | 2.7883 |
| logSw: | -3.3663 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.861 |
| InChI Key: | FFLKKHQBJRHPKQ-LJQANCHMSA-N |