MLS000590560
13-ethyl-13-methyl-6-(4-methylphenyl)-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one
Also Known As: 8-ethyl-2-mercapto-8-methyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one|7-Ethyl-2-mercapto-7-methyl-3-p-tolyl-3,5,7,8-tetrahydro-6-oxa-1,3,9-triaza-anthracen-4-one|8-ethyl-8-methyl-3-(4-methylphenyl)-2-thioxo-1,2,3,6,8,9-hexahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.13544 g/mol |
| LogP | 3.99311 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.13544 |
| Monoisotopic Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 1114.835 |
Chemical Identifiers
| CAS Number | 500271-40-9 |
|---|---|
| SMILES | CCC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=S)N3)C4=CC=C(C=C4)C)C |
Product Overview
MLS000590560 (CAS 500271-40-9), with molecular formula C20H21N3O2S and molecular weight 367.13544 g/mol. IUPAC: 13-ethyl-13-methyl-6-(4-methylphenyl)-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one.
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