N-benzyl-2-[3-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-[3-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
N-benzyl-2-[3-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
Compound characteristics
| Compound ID: | C241-1834 |
| Compound Name: | N-benzyl-2-[3-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide |
| Molecular Weight: | 525.03 |
| Molecular Formula: | C26 H25 Cl N4 O4 S |
| Smiles: | CCN(Cc1ccccc1)C(CN1C(N(CC(NCc2ccccc2[Cl])=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6834 |
| logD: | 3.6834 |
| logSw: | -3.8774 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.437 |
| InChI Key: | NQWHZGWJLAGVMM-UHFFFAOYSA-N |