N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(4-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(4-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(4-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1310 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(4-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C25 H23 N3 O5 S |
| Smiles: | Cc1ccc(CN2C(N(CCC(NCc3ccc4c(c3)OCO4)=O)C(c3c2ccs3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1468 |
| logD: | 4.1468 |
| logSw: | -4.1805 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.851 |
| InChI Key: | HUIWBAMHQJGFNX-UHFFFAOYSA-N |