AC1LKQE0
methyl 2-[(4-methylphenyl)carbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: AK-968/40728929|methyl 2-[(4-toluidinocarbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-[(4-methylphenyl)carbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-(3-(p-tolyl)ureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-{[(4-methylphenyl)carbamoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C20H24N2O3S |
|---|---|
| Molecular Weight | 372.15076 g/mol |
| LogP | 5.14612 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.15076 |
| Monoisotopic Mass | 372.15076 |
| Heavy Atoms | 26 |
| Complexity | 796.1328 |
Chemical Identifiers
| CAS Number | 445016-19-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC |
Product Overview
AC1LKQE0 (CAS 445016-19-3), with molecular formula C20H24N2O3S and molecular weight 372.15076 g/mol. IUPAC: methyl 2-[(4-methylphenyl)carbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
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