C18H18N10O4S2
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide
Also Known As: (E)-2-(3-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide|2-(3-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}phenoxy)acetamide
| Molecular Formula | C18H18N10O4S2 |
|---|---|
| Molecular Weight | 502.0954 g/mol |
| LogP | 0.1965 |
| Topological Polar Surface Area | 201.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.0954 |
| Monoisotopic Mass | 502.0954 |
| Heavy Atoms | 34 |
| Complexity | 1255.0973 |
Chemical Identifiers
| CAS Number | 577694-46-3 |
|---|---|
| SMILES | C1CSC(=N1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC(=CC=C4)OCC(=O)N |
Product Overview
C18H18N10O4S2 (CAS 577694-46-3), with molecular formula C18H18N10O4S2 and molecular weight 502.0954 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide.