3-{1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-{1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]propanamide
3-{1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | C241-2079 |
| Compound Name: | 3-{1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]propanamide |
| Molecular Weight: | 545.44 |
| Molecular Formula: | C25 H22 Cl2 N4 O4 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(N(CCC(NCc2ccccc2[Cl])=O)C(c2c1ccs2)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4554 |
| logD: | 4.4552 |
| logSw: | -4.3912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.187 |
| InChI Key: | YWYNGGUBVZROMM-UHFFFAOYSA-N |