AC1MJQX4
methyl 2-(adamantane-1-carbonylamino)-5-[(2-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: Oprea1_184470|Oprea1_294595|BAS 02497758|Methyl 2-(adamantane-1-carboxamido)-5-((2-chlorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate|2-[(Adamantane-1-carbonyl)-amino]-5-(2-chloro-phenylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester|methyl 2-(adamantane-1-carbonylamino)-5-[(2-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate|Methyl2-(adamantane-1-carboxamido)-5-((2-chlorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C25H27ClN2O4S |
|---|---|
| Molecular Weight | 486.138 g/mol |
| LogP | 5.90372 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.138 |
| Monoisotopic Mass | 486.138 |
| Heavy Atoms | 33 |
| Complexity | 1106.1377 |
Chemical Identifiers
| CAS Number | 335409-83-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC=C5Cl |
Product Overview
AC1MJQX4 (CAS 335409-83-1), with molecular formula C25H27ClN2O4S and molecular weight 486.138 g/mol. IUPAC: methyl 2-(adamantane-1-carbonylamino)-5-[(2-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
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