4-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
4-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1376 |
| Compound Name: | 4-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 555.05 |
| Molecular Formula: | C27 H27 Cl N4 O5 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3c(ccs3)N(CC(Nc3cc(ccc3OC)[Cl])=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6393 |
| logD: | 3.6358 |
| logSw: | -4.0598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.817 |
| InChI Key: | VEAIOWUWAXIKTN-UHFFFAOYSA-N |