AC1MESSO
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00114297-01|AJ-292/40706629|ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-{[(4-methoxyanilino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(3-(4-methoxyphenyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-{[(4-methoxyphenyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H24N2O3S2 |
|---|---|
| Molecular Weight | 404.12283 g/mol |
| LogP | 4.8671 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.12283 |
| Monoisotopic Mass | 404.12283 |
| Heavy Atoms | 27 |
| Complexity | 830.4975 |
Chemical Identifiers
| CAS Number | 375830-49-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC3=CC=C(C=C3)OC |
Product Overview
AC1MESSO (CAS 375830-49-2), with molecular formula C20H24N2O3S2 and molecular weight 404.12283 g/mol. IUPAC: ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.