(5-amino-1H-1,2,4-triazol-1-yl){5-[(4-nitrophenoxy)methyl]furan-2-yl}methanone
Chemical Structure Depiction of
(5-amino-1H-1,2,4-triazol-1-yl){5-[(4-nitrophenoxy)methyl]furan-2-yl}methanone
(5-amino-1H-1,2,4-triazol-1-yl){5-[(4-nitrophenoxy)methyl]furan-2-yl}methanone
Compound characteristics
Compound ID: | Y501-8130 |
Compound Name: | (5-amino-1H-1,2,4-triazol-1-yl){5-[(4-nitrophenoxy)methyl]furan-2-yl}methanone |
Molecular Weight: | 329.27 |
Molecular Formula: | C14 H11 N5 O5 |
Smiles: | C(c1ccc(C(n2c(N)ncn2)=O)o1)Oc1ccc(cc1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 1.3984 |
logD: | 1.3984 |
logSw: | -1.9557 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 107.51 |
InChI Key: | QJRRBUPMUIWFHK-UHFFFAOYSA-N |