N-[(furan-2-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
N-[(furan-2-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C241-1445 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide |
| Molecular Weight: | 468.49 |
| Molecular Formula: | C22 H20 N4 O6 S |
| Smiles: | C(CC(NCc1ccco1)=O)CN1C(c2c(ccs2)N(Cc2ccc(cc2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2334 |
| logD: | 3.2334 |
| logSw: | -3.5537 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.865 |
| InChI Key: | ZSIZZQOWFXXMQV-UHFFFAOYSA-N |