AC1N4T2D
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide
Also Known As: Oprea1_401013|N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide|F0328-0320|N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-chloro-2-nitrobenzamide|N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-2-nitro-benzamide|N-[3-(1,3-benzothiazol-2-yl)-1-thia-4,5,6,7-tetrahydro-2-indenyl]5-chloro-2-nitrobenzamide
CAS: 313395-75-4
| Molecular Formula | C22H16ClN3O3S2 |
|---|---|
| Molecular Weight | 469.03217 g/mol |
| LogP | 6.7175 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.03217 |
| Monoisotopic Mass | 469.03217 |
| Heavy Atoms | 31 |
| Complexity | 1312.2782 |
Chemical Identifiers
| CAS Number | 313395-75-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C4=NC5=CC=CC=C5S4 |
Product Overview
AC1N4T2D (CAS 313395-75-4), with molecular formula C22H16ClN3O3S2 and molecular weight 469.03217 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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