4-{1-[(2,5-dimethylphenyl)methyl]-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-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
4-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1367 |
| Compound Name: | 4-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C27 H29 N3 O3 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3c(ccs3)N(Cc3cc(C)ccc3C)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0265 |
| logD: | 5.0265 |
| logSw: | -4.543 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.735 |
| InChI Key: | VFTSGLQQJVBOHM-UHFFFAOYSA-N |