6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]hexanamide
Chemical Structure Depiction of
6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]hexanamide
6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | C241-2041 |
| Compound Name: | 6-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]hexanamide |
| Molecular Weight: | 553.08 |
| Molecular Formula: | C28 H29 Cl N4 O4 S |
| Smiles: | Cc1ccc(CNC(CCCCCN2C(c3c(ccs3)N(CC(Nc3cccc(c3)[Cl])=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.15 |
| logD: | 5.1499 |
| logSw: | -5.3376 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.884 |
| InChI Key: | LJFDQIODHWGUOU-UHFFFAOYSA-N |