N-benzyl-3-{1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-benzyl-3-{1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-benzyl-3-{1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1299 |
| Compound Name: | N-benzyl-3-{1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 511 |
| Molecular Formula: | C25 H23 Cl N4 O4 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CN1C(N(CCC(NCc2ccccc2)=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9401 |
| logD: | 3.9399 |
| logSw: | -4.1689 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.187 |
| InChI Key: | KYYFCEOTQMAQBZ-UHFFFAOYSA-N |