N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C241-1413 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | Cc1cccc(CN2C(N(CCCC(NCc3ccc4c(c3)OCO4)=O)C(c3c2ccs3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1168 |
| logD: | 4.1168 |
| logSw: | -4.2257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.851 |
| InChI Key: | XAUFZSKWXWKIAN-UHFFFAOYSA-N |