AC1M3EOQ
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 5-phenyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamido)thiophene-3-carboxylate|ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-phenylthiophene-3-carboxylate|ethyl 2-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]-5-phenylthiophene-3-carboxylate|ethyl 2-{[(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)thioxomethyl]amino}-5-phenylthiop hene-3-carboxylate
| Molecular Formula | C21H24N2O4S2 |
|---|---|
| Molecular Weight | 432.11774 g/mol |
| LogP | 4.1275 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.11774 |
| Monoisotopic Mass | 432.11774 |
| Heavy Atoms | 29 |
| Complexity | 868.06116 |
Chemical Identifiers
| CAS Number | 708237-63-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC4(CC3)OCCO4 |
Product Overview
AC1M3EOQ (CAS 708237-63-2), with molecular formula C21H24N2O4S2 and molecular weight 432.11774 g/mol. IUPAC: ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-phenylthiophene-3-carboxylate.
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