6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-fluorophenyl)methyl]hexanamide
Chemical Structure Depiction of
6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-fluorophenyl)methyl]hexanamide
6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-fluorophenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | C241-1997 |
| Compound Name: | 6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-fluorophenyl)methyl]hexanamide |
| Molecular Weight: | 557.04 |
| Molecular Formula: | C27 H26 Cl F N4 O4 S |
| Smiles: | C(CCC(NCc1ccc(cc1)F)=O)CCN1C(c2c(ccs2)N(CC(Nc2cccc(c2)[Cl])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7557 |
| logD: | 4.7556 |
| logSw: | -4.7798 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.884 |
| InChI Key: | YJBWPZVJKSPGJS-UHFFFAOYSA-N |