AC1MWQX1
5-[(3,4-dichlorophenyl)methylsulfanyl]-11-methyl-4-(2-phenylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: Oprea1_386940|2-((3,4-dichlorobenzyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one|2-[(3,4-dichlorobenzyl)sulfanyl]-7-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one|2-[(3,4-dichlorophenyl)methylthio]-7-methyl-3-(2-phenylethyl)-3,5,6,7,8-pentah ydropyrimidino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one
| Molecular Formula | C25H23Cl2N3OS2 |
|---|---|
| Molecular Weight | 515.066 g/mol |
| LogP | 6.2877 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.066 |
| Monoisotopic Mass | 515.066 |
| Heavy Atoms | 33 |
| Complexity | 1367.8325 |
Chemical Identifiers
| CAS Number | 351004-75-6 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC(=C(C=C4)Cl)Cl)CCC5=CC=CC=C5 |
Product Overview
AC1MWQX1 (CAS 351004-75-6), with molecular formula C25H23Cl2N3OS2 and molecular weight 515.066 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methylsulfanyl]-11-methyl-4-(2-phenylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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