6-{1-[2-(2,4-dimethylanilino)-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-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-fluorophenyl)methyl]hexanamide
6-{1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-fluorophenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | C241-2012 |
| Compound Name: | 6-{1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-fluorophenyl)methyl]hexanamide |
| Molecular Weight: | 550.65 |
| Molecular Formula: | C29 H31 F N4 O4 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CN1C(N(CCCCCC(NCc2ccc(cc2)F)=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4848 |
| logD: | 4.4848 |
| logSw: | -4.2327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.187 |
| InChI Key: | CAMXMJWKKAIJJA-UHFFFAOYSA-N |