N-benzyl-6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-benzyl-6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-benzyl-6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-1972 |
| Compound Name: | N-benzyl-6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 539.05 |
| Molecular Formula: | C27 H27 Cl N4 O4 S |
| Smiles: | C(CCC(NCc1ccccc1)=O)CCN1C(c2c(ccs2)N(CC(Nc2cccc(c2)[Cl])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7267 |
| logD: | 4.7265 |
| logSw: | -4.8076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.884 |
| InChI Key: | IIWVJSLVUGCJDZ-UHFFFAOYSA-N |