2-(4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-phenylacetamide
Chemical Structure Depiction of
2-(4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-phenylacetamide
2-(4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | C241-2138 |
| Compound Name: | 2-(4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-phenylacetamide |
| Molecular Weight: | 512.54 |
| Molecular Formula: | C27 H20 N4 O5 S |
| Smiles: | C(C(Nc1ccccc1)=O)c1ccc(cc1)N1C(c2c(ccs2)N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3006 |
| logD: | 4.3006 |
| logSw: | -4.4346 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.933 |
| InChI Key: | XPONOBSJPQZALX-UHFFFAOYSA-N |