AC1MK4AL
3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BAS 04055105|AK-968/12971311|SR-01000479051-1|2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid|3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|2-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid|3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-({3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}CARBAMOYL)BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID|3-{[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.11948 g/mol |
| LogP | 3.35008 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.11948 |
| Monoisotopic Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 804.3266 |
Chemical Identifiers
| CAS Number | 489409-48-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3C4CC(C3C(=O)O)C=C4 |
Product Overview
AC1MK4AL (CAS 489409-48-5), with molecular formula C19H20N2O3S and molecular weight 356.11948 g/mol. IUPAC: 3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
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