methyl 4-[({[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino}oxy)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino}oxy)methyl]benzoate
methyl 4-[({[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino}oxy)methyl]benzoate
Compound characteristics
| Compound ID: | 8013-0531 |
| Compound Name: | methyl 4-[({[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino}oxy)methyl]benzoate |
| Molecular Weight: | 291.26 |
| Molecular Formula: | C12 H13 N5 O4 |
| Smiles: | COC(c1ccc(CO/N=C(/c2c(N)non2)N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7531 |
| logD: | 1.7531 |
| logSw: | -1.9427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.987 |
| InChI Key: | UJQQWPKVPBVDJX-UHFFFAOYSA-N |