AC1MTJTD
N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide
Also Known As: Oprea1_604468|N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide|AB00601498-06|AK-968/41923887|N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide|N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitro-phenyl]-4-(tetrazol-1-yl)benzamide|N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetrazol-1-yl)benzamide|N-{3-[(2,3-DIHYDROXYPROPYL)SULFANYL]-5-NITROPHENYL}-4-(1H-1,2,3,4-TETRAAZOL-1-YL)BENZAMIDE
| Molecular Formula | C17H16N6O5S |
|---|---|
| Molecular Weight | 416.0903 g/mol |
| LogP | 1.2681 |
| Topological Polar Surface Area | 156.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.0903 |
| Monoisotopic Mass | 416.0903 |
| Heavy Atoms | 29 |
| Complexity | 996.0579 |
Chemical Identifiers
| CAS Number | 438236-40-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)SCC(CO)O)[N+](=O)[O-])N3C=NN=N3 |
Product Overview
AC1MTJTD (CAS 438236-40-9), with molecular formula C17H16N6O5S and molecular weight 416.0903 g/mol. IUPAC: N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide.
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