N-benzyl-4-({1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-({1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
N-benzyl-4-({1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5184 |
| Compound Name: | N-benzyl-4-({1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 548.64 |
| Molecular Formula: | C29 H29 F N4 O4 S |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)N(CC(Nc2cccc(c2)F)=O)C1=O)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9252 |
| logD: | 4.9251 |
| logSw: | -4.8812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.04 |
| InChI Key: | ZWRHXBHOGWNVRD-UHFFFAOYSA-N |