AC1ME8GW
methyl 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBMicro_036354|Oprea1_078807|Oprea1_286637|BAS 00483360|BIM-0036394.P001|AK-968/10639012|methyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(adamantane-1-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H27NO3S |
|---|---|
| Molecular Weight | 373.17117 g/mol |
| LogP | 4.5684 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.17117 |
| Monoisotopic Mass | 373.17117 |
| Heavy Atoms | 26 |
| Complexity | 730.26666 |
Chemical Identifiers
| CAS Number | 333396-75-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AC1ME8GW (CAS 333396-75-1), with molecular formula C21H27NO3S and molecular weight 373.17117 g/mol. IUPAC: methyl 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.