AC1MIXLY
benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Oprea1_762310|BAS 00381393|AG-690/33368054|SR-01000397765-1|benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate|benzyl 6-methyl-4-(2-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|BENZYL 6-METHYL-4-(2-PROPOXYPHENYL)-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE|benzyl 6-methyl-4-(2-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate|phenylmethyl 4-methyl-6-(2-propoxyphenyl)-2-thioxo-1,3,6-trihydropyrimidine-5- carboxylate|Phenylmethyl 1,2,3,4-tetrahydro-6-methyl-4-(2-propoxyphenyl)-2-thioxo-5-pyrimidinecarboxylate
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15076 g/mol |
| LogP | 4.0116 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.15076 |
| Monoisotopic Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 880.3604 |
Chemical Identifiers
| CAS Number | 299404-82-3 |
|---|---|
| SMILES | CCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3 |
Product Overview
AC1MIXLY (CAS 299404-82-3), with molecular formula C22H24N2O3S and molecular weight 396.15076 g/mol. IUPAC: benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
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