4-[1-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-(4-methoxyphenyl)butanamide
Chemical Structure Depiction of
4-[1-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-(4-methoxyphenyl)butanamide
4-[1-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-(4-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C241-1179 |
| Compound Name: | 4-[1-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-(4-methoxyphenyl)butanamide |
| Molecular Weight: | 541.02 |
| Molecular Formula: | C26 H25 Cl N4 O5 S |
| Smiles: | COc1ccc(cc1)NC(CCCN1C(c2c(ccs2)N(CC(NCc2ccccc2[Cl])=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6049 |
| logD: | 3.6049 |
| logSw: | -3.7724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.428 |
| InChI Key: | JJZFQUBRZPECRH-UHFFFAOYSA-N |