N-[(4-methoxyphenyl)methyl]-3-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-3-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-[(4-methoxyphenyl)methyl]-3-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1507 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-3-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C24 H22 N4 O6 S |
| Smiles: | COc1ccc(CNC(CCN2C(c3c(ccs3)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7184 |
| logD: | 3.7184 |
| logSw: | -3.9496 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.66 |
| InChI Key: | DCOOHHSMWRTGOC-UHFFFAOYSA-N |