4-amino-2-(3-nitrophenyl)-5H-[1]benzopyrano[4,3-d]pyrimidin-5-one
Chemical Structure Depiction of
4-amino-2-(3-nitrophenyl)-5H-[1]benzopyrano[4,3-d]pyrimidin-5-one
4-amino-2-(3-nitrophenyl)-5H-[1]benzopyrano[4,3-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | 3850-0067 |
| Compound Name: | 4-amino-2-(3-nitrophenyl)-5H-[1]benzopyrano[4,3-d]pyrimidin-5-one |
| Molecular Weight: | 334.29 |
| Molecular Formula: | C17 H10 N4 O4 |
| Smiles: | c1ccc2c(c1)c1c(C(=O)O2)c(N)nc(c2cccc(c2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3294 |
| logD: | 3.3294 |
| logSw: | -4.1023 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.128 |
| InChI Key: | GYVSHJZPYXMMOG-UHFFFAOYSA-N |