AC1LE8PJ
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
Also Known As: Oprea1_221456|Oprea1_293155|KS-00004DA8|BAS 00803293|2-({[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)benzoic acid|AG-690/12134089|2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid|SR-01000423021-1|N-(3-Carbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-phthalamic acid|2-[N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl]benzoic ac id|2-({[3-(Aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}carbonyl)benzoic acid
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08307 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.08307 |
| Monoisotopic Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 307339-49-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3C(=O)O)C(=O)N |
| InChIKey | AUYQDVZUNURNSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LE8PJ (CAS 307339-49-7), with molecular formula C17H16N2O4S and molecular weight 344.08307 g/mol. IUPAC: 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid.
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