AC1LZUUA
methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-(3-(benzo[d][1,3]dioxole-5-carbonyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-{[(1,3-benzodioxol-5-ylcarbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C21H22N2O5S2 |
|---|---|
| Molecular Weight | 446.09702 g/mol |
| LogP | 4.0492 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.09702 |
| Monoisotopic Mass | 446.09702 |
| Heavy Atoms | 30 |
| Complexity | 1001.5232 |
Chemical Identifiers
| CAS Number | 693239-79-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
AC1LZUUA (CAS 693239-79-1), with molecular formula C21H22N2O5S2 and molecular weight 446.09702 g/mol. IUPAC: methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
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