4-({1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide
4-({1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C241-1958 |
| Compound Name: | 4-({1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 523.97 |
| Molecular Formula: | C26 H19 Cl F N3 O4 S |
| Smiles: | C(c1ccco1)NC(c1ccc(CN2C(c3c(ccs3)N(Cc3ccc(cc3[Cl])F)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.585 |
| logD: | 5.585 |
| logSw: | -6.0323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.447 |
| InChI Key: | AEWNGAPISCFMTH-UHFFFAOYSA-N |