6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-phenylhexanamide
Chemical Structure Depiction of
6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-phenylhexanamide
6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-phenylhexanamide
Compound characteristics
| Compound ID: | C241-1556 |
| Compound Name: | 6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-phenylhexanamide |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | C(CCC(Nc1ccccc1)=O)CCN1C(c2c(ccs2)N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5374 |
| logD: | 4.5374 |
| logSw: | -4.2882 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.795 |
| InChI Key: | JYEJSDXKZMPQJN-UHFFFAOYSA-N |