N-[(4-methoxy-3-nitrophenyl)methoxy][1,2,5]oxadiazolo[3,4-d]pyrimidin-7(6H)-imine
Chemical Structure Depiction of
N-[(4-methoxy-3-nitrophenyl)methoxy][1,2,5]oxadiazolo[3,4-d]pyrimidin-7(6H)-imine
N-[(4-methoxy-3-nitrophenyl)methoxy][1,2,5]oxadiazolo[3,4-d]pyrimidin-7(6H)-imine
Compound characteristics
| Compound ID: | 8009-2677 |
| Compound Name: | N-[(4-methoxy-3-nitrophenyl)methoxy][1,2,5]oxadiazolo[3,4-d]pyrimidin-7(6H)-imine |
| Molecular Weight: | 318.25 |
| Molecular Formula: | C12 H10 N6 O5 |
| Smiles: | COc1ccc(CO/N=C2\c3c(N=CN2)non3)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7497 |
| logD: | 1.7497 |
| logSw: | -2.1921 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.336 |
| InChI Key: | HUMKUXBAFMLQRG-UHFFFAOYSA-N |