N-[(2-chlorophenyl)methyl]-6-[1-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-6-[1-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
N-[(2-chlorophenyl)methyl]-6-[1-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Compound characteristics
| Compound ID: | C241-1721 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-6-[1-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide |
| Molecular Weight: | 641.5 |
| Molecular Formula: | C28 H25 Cl2 F3 N4 O4 S |
| Smiles: | C(CCC(NCc1ccccc1[Cl])=O)CCN1C(c2c(ccs2)N(CC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9801 |
| logD: | 5.9488 |
| logSw: | -6.2389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.187 |
| InChI Key: | CBPKGFDOZIRLFS-UHFFFAOYSA-N |