N-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
N-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
Also Known As: Oprea1_153105|Oprea1_352603|ChemBridge nitrobenzothiazole, 6|BAS 02729691|AG-690/15428912|N-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide|N-(3-((6-nitrobenzo[d]thiazol-2-yl)amino)-3-oxo-1-phenylpropyl)benzamide|N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-3-(phenylformamido)propanamide|N-(6-nitrobenzothiazol-2-yl)-3-phenyl-3-(phenylcarbonylamino)propanamide|N-[2-(6-Nitro-benzothiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-benzamide|N-[3-({6-nitro-1,3-benzothiazol-2-yl}amino)-3-oxo-1-phenylpropyl]benzamide
| Molecular Formula | C23H18N4O4S |
|---|---|
| Molecular Weight | 446.1049 g/mol |
| LogP | 4.7044 |
| Topological Polar Surface Area | 114.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.1049 |
| Monoisotopic Mass | 446.1049 |
| Heavy Atoms | 32 |
| Complexity | 1275.1656 |
Chemical Identifiers
| CAS Number | 335209-31-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4 |
Product Overview
N-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide (CAS 335209-31-9), with molecular formula C23H18N4O4S and molecular weight 446.1049 g/mol. IUPAC: N-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide.