N-benzyl-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-benzyl-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-benzyl-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1268 |
| Compound Name: | N-benzyl-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | C(CN1C(c2c(ccs2)N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6725 |
| logD: | 3.6725 |
| logSw: | -4.0263 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.117 |
| InChI Key: | ONQLAMYVPSUPAE-UHFFFAOYSA-N |