N-benzyl-3-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-benzyl-3-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-benzyl-3-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1284 |
| Compound Name: | N-benzyl-3-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(N(CCC(NCc3ccccc3)=O)C(c3c2ccs3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8564 |
| logD: | 4.8564 |
| logSw: | -4.5062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.735 |
| InChI Key: | NXKISJAHEGUXAO-UHFFFAOYSA-N |