AC1MJQXL
4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid
Also Known As: CBMicro_003881|Oprea1_799228|BIM-0003884.P001|J2.107.484E|SR-01000319380-1|4-(5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl)benzoic acid|4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid|4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]benzoic acid|4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,3,4-trihydropyrimidin-4-yl]benzoic a cid|2-(Thioxo)-6-methyl-4-(4-carboxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 5-ethyl ester|4-[5-(ethoxycarbonyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-yl]benzoic acid
| Molecular Formula | C15H16N2O4S |
|---|---|
| Molecular Weight | 320.08307 g/mol |
| LogP | 1.7407 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.08307 |
| Monoisotopic Mass | 320.08307 |
| Heavy Atoms | 22 |
| Complexity | 652.0112 |
Chemical Identifiers
| CAS Number | 331981-76-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)C(=O)O)C |
Product Overview
AC1MJQXL (CAS 331981-76-1), with molecular formula C15H16N2O4S and molecular weight 320.08307 g/mol. IUPAC: 4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid.