AC1LF7LS
methyl 2-[(4-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: CBMicro_042000|Oprea1_626932|BIM-0042153.P001|AK-968/15253331|SR-01000439899-1|methyl 2-[(4-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|Methyl 2-(4-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|METHYL 2-(4-METHYLBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE|methyl 2-[(4-methylphenyl)carbonylamino]-4,5,6,7,8-pentahydrocyclohepta[2,1-b] thiophene-3-carboxylate|methyl 2-{[(4-methylphenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.1242 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.1242 |
| Monoisotopic Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 329068-50-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC |
| InChIKey | HSPLHVOLFSLZIZ-UHFFFAOYSA-N |
Product Overview
AC1LF7LS (CAS 329068-50-0), with molecular formula C19H21NO3S and molecular weight 343.1242 g/mol. IUPAC: methyl 2-[(4-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.