N-[(4-fluorophenyl)methyl]-6-{1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-6-{1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(4-fluorophenyl)methyl]-6-{1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-2008 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-6-{1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 536.63 |
| Molecular Formula: | C28 H29 F N4 O4 S |
| Smiles: | Cc1ccccc1NC(CN1C(N(CCCCCC(NCc2ccc(cc2)F)=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.797 |
| logD: | 3.797 |
| logSw: | -3.7874 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.187 |
| InChI Key: | VLNNBLVJEMTKPO-UHFFFAOYSA-N |