AC1LORC5
ethyl 2-[(3-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: Oprea1_239461|F0817-0331|ETHYL 2-(3-METHYLBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE|ethyl 2-(3-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[(3-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[(3-methylphenyl)carbonylamino]-4,5,6,7,8-pentahydrocyclohepta[2,1-b]t hiophene-3-carboxylate|ethyl 2-{[(3-methylphenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.13986 g/mol |
| LogP | 4.75442 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.13986 |
| Monoisotopic Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 794.23413 |
Chemical Identifiers
| CAS Number | 329068-44-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CC(=C3)C |
Product Overview
AC1LORC5 (CAS 329068-44-2), with molecular formula C20H23NO3S and molecular weight 357.13986 g/mol. IUPAC: ethyl 2-[(3-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.