AC1MFNCP
ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: BAS 03771937|AF-399/13855006|ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate|6-(3,4-Dihydroxy-phenyl)-4-hydroxy-2-thioxo-4-trifluoromethyl-hexahydro-pyrimidine-5-carboxylic acid ethyl ester|ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate|ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)-1,3-diaza perhydroine-5-carboxylate|ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
| Molecular Formula | C14H15F3N2O5S |
|---|---|
| Molecular Weight | 380.06537 g/mol |
| LogP | 1.0468 |
| Topological Polar Surface Area | 111.05 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.06537 |
| Monoisotopic Mass | 380.06537 |
| Heavy Atoms | 25 |
| Complexity | 699.53503 |
Chemical Identifiers
| CAS Number | 459153-73-2 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)O)O |
Product Overview
AC1MFNCP (CAS 459153-73-2), with molecular formula C14H15F3N2O5S and molecular weight 380.06537 g/mol. IUPAC: ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
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