4-({1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-pentylcyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-pentylcyclohexane-1-carboxamide
4-({1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-pentylcyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5290 |
| Compound Name: | 4-({1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-pentylcyclohexane-1-carboxamide |
| Molecular Weight: | 528.65 |
| Molecular Formula: | C27 H33 F N4 O4 S |
| Smiles: | CCCCCNC(C1CCC(CC1)CN1C(c2c(ccs2)N(CC(Nc2cccc(c2)F)=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4067 |
| logD: | 5.4066 |
| logSw: | -5.2523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.153 |
| InChI Key: | RGHKIQWXRXSTEP-UHFFFAOYSA-N |