AC1NMSKQ
3-[[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-{[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[3-(aminocarbonyl)-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]carbonyl]-|2-[[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid|3-([[3-(AMINOCARBONYL)-6-(1,1-DIMETHYLPROPYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]CARBONYL)BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID|3-({[3-(AMINOCARBONYL)-6-(TERT-PENTYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C23H30N2O4S |
|---|---|
| Molecular Weight | 430.19263 g/mol |
| LogP | 3.8495 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.19263 |
| Monoisotopic Mass | 430.19263 |
| Heavy Atoms | 30 |
| Complexity | 931.87775 |
Chemical Identifiers
| CAS Number | 1024309-77-0 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4CC(C3C(=O)O)C=C4 |
Product Overview
AC1NMSKQ (CAS 1024309-77-0), with molecular formula C23H30N2O4S and molecular weight 430.19263 g/mol. IUPAC: 3-[[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
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