AC1NZQ7Q
[4-[(Z)-N-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)triazole-4-carbonyl]amino]-C-methylcarbonimidoyl]phenyl] benzoate
Also Known As: (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate|[4-[(Z)-N-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)triazole-4-carbonyl]amino]-C-methylcarbonimidoyl]phenyl] benzoate|4-[(1Z)-1-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenyl benzoate
| Molecular Formula | C27H22N8O5 |
|---|---|
| Molecular Weight | 538.1713 g/mol |
| LogP | 3.1847 |
| Topological Polar Surface Area | 172.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.1713 |
| Monoisotopic Mass | 538.1713 |
| Heavy Atoms | 40 |
| Complexity | 1647.5347 |
Chemical Identifiers
| CAS Number | 836633-49-9 |
|---|---|
| SMILES | C/C(=N/NC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=CC=CC=C3)/C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5 |
Product Overview
AC1NZQ7Q (CAS 836633-49-9), with molecular formula C27H22N8O5 and molecular weight 538.1713 g/mol. IUPAC: [4-[(Z)-N-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)triazole-4-carbonyl]amino]-C-methylcarbonimidoyl]phenyl] benzoate.