N-[(2-chlorophenyl)methyl]-6-{1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-6-{1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(2-chlorophenyl)methyl]-6-{1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-1578 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-6-{1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 542.03 |
| Molecular Formula: | C27 H25 Cl F N3 O4 S |
| Smiles: | C(CCC(NCc1ccccc1[Cl])=O)CCN1C(c2c(ccs2)N(CC(c2ccc(cc2)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7278 |
| logD: | 4.7278 |
| logSw: | -4.8291 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.982 |
| InChI Key: | JEDMGNTWPBCXCS-UHFFFAOYSA-N |