AC1MRE0L
2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide
Also Known As: Oprea1_216051|AK-968/41923935|2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide|2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide|2-CHLORO-N-{3-[(2,3-DIHYDROXYPROPYL)SULFANYL]-5-NITROPHENYL}-5-(1H-1,2,3,4-TETRAAZOL-1-YL)BENZAMIDE|2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetraazol-1-yl)benzamide
| Molecular Formula | C17H15ClN6O5S |
|---|---|
| Molecular Weight | 450.05133 g/mol |
| LogP | 1.9215 |
| Topological Polar Surface Area | 156.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.05133 |
| Monoisotopic Mass | 450.05133 |
| Heavy Atoms | 30 |
| Complexity | 1064.7972 |
Chemical Identifiers
| CAS Number | 438236-65-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C=NN=N2)C(=O)NC3=CC(=CC(=C3)SCC(CO)O)[N+](=O)[O-])Cl |
Product Overview
AC1MRE0L (CAS 438236-65-8), with molecular formula C17H15ClN6O5S and molecular weight 450.05133 g/mol. IUPAC: 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide.
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