3-{1-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(4-chlorophenyl)ethyl]propanamide
Chemical Structure Depiction of
3-{1-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(4-chlorophenyl)ethyl]propanamide
3-{1-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(4-chlorophenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | C241-2178 |
| Compound Name: | 3-{1-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(4-chlorophenyl)ethyl]propanamide |
| Molecular Weight: | 520.41 |
| Molecular Formula: | C24 H20 Cl2 F N3 O3 S |
| Smiles: | C(CN1C(c2c(ccs2)N(Cc2c(cccc2[Cl])F)C1=O)=O)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6552 |
| logD: | 4.6552 |
| logSw: | -4.8229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.577 |
| InChI Key: | QIWKHKQABXYERK-UHFFFAOYSA-N |