AC1MYU28
N-(2-chlorophenyl)-2-[(14-propyl-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-6-yl)sulfanyl]acetamide
Also Known As: N-(2-chlorophenyl)-2-((11-propyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide|N-(2-chlorophenyl)-2-[(11-propyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)sulfanyl]acetamide
| Molecular Formula | C25H23ClN6OS2 |
|---|---|
| Molecular Weight | 522.1063 g/mol |
| LogP | 6.1027 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.1063 |
| Monoisotopic Mass | 522.1063 |
| Heavy Atoms | 35 |
| Complexity | 1594.0386 |
Chemical Identifiers
| CAS Number | 836652-55-2 |
|---|---|
| SMILES | CCCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NN=C(N5C=N4)SCC(=O)NC6=CC=CC=C6Cl |
Product Overview
AC1MYU28 (CAS 836652-55-2), with molecular formula C25H23ClN6OS2 and molecular weight 522.1063 g/mol. IUPAC: N-(2-chlorophenyl)-2-[(14-propyl-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-6-yl)sulfanyl]acetamide.
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