N-[2-(3-nitrophenyl)-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin-4-yl]propanamide
Chemical Structure Depiction of
N-[2-(3-nitrophenyl)-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin-4-yl]propanamide
N-[2-(3-nitrophenyl)-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin-4-yl]propanamide
Compound characteristics
| Compound ID: | 8012-1057 |
| Compound Name: | N-[2-(3-nitrophenyl)-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin-4-yl]propanamide |
| Molecular Weight: | 390.35 |
| Molecular Formula: | C20 H14 N4 O5 |
| Smiles: | CCC(Nc1c2C(=O)Oc3ccccc3c2nc(c2cccc(c2)[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8637 |
| logD: | 3.842 |
| logSw: | -4.2477 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.22 |
| InChI Key: | BCRVEZAIFSXGIQ-UHFFFAOYSA-N |