AC1ND70N
2-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: MLS-0093880.0001|AK-968/40709530|2-({[3-(aminocarbonyl)-4-(4-tert-butylphenyl)-5-methyl-2-thienyl]amino}carbonyl)cyclohexanecarboxylic acid|2-((4-(4-(tert-butyl)phenyl)-3-carbamoyl-5-methylthiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid|2-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid|2-((4-(4-(tert-Butyl)phenyl)-3-carbamoyl-5-methylthiophen-2-yl)carbamoyl)cyclohexane-1-carboxylic acid|2-(N-{4-[4-(tert-butyl)phenyl]-3-carbamoyl-5-methyl-2-thienyl}carbamoyl)cycloh exanecarboxylic acid|2-[[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid|2-[[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid|2-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid|2-{[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
| Molecular Formula | C24H30N2O4S |
|---|---|
| Molecular Weight | 442.19263 g/mol |
| LogP | 4.94942 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.19263 |
| Monoisotopic Mass | 442.19263 |
| Heavy Atoms | 31 |
| Complexity | 1001.822 |
Chemical Identifiers
| CAS Number | 495396-00-4 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)O)C(=O)N)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
AC1ND70N (CAS 495396-00-4), with molecular formula C24H30N2O4S and molecular weight 442.19263 g/mol. IUPAC: 2-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
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