N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Compound characteristics
| Compound ID: | C241-1617 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide |
| Molecular Weight: | 616.62 |
| Molecular Formula: | C29 H27 F3 N4 O6 S |
| Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCN1C(c2c(ccs2)N(CC(Nc2cccc(c2)C(F)(F)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9294 |
| logD: | 4.929 |
| logSw: | -4.6833 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97 |
| InChI Key: | DSTNEQHKEVJVBL-UHFFFAOYSA-N |