N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1336 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 548.62 |
| Molecular Formula: | C28 H28 N4 O6 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CN1C(N(CCC(NCc2ccc3c(c2)OCO3)=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6426 |
| logD: | 3.6426 |
| logSw: | -3.8768 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.604 |
| InChI Key: | JOXKWGDNUMKDOA-UHFFFAOYSA-N |