AC1MORT4
6-[(4-chlorophenyl)methylsulfanyl]-14-propan-2-yl-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)-heptaene
Also Known As: 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline|3-[(4-chlorobenzyl)sulfanyl]-11-(propan-2-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C24H22ClN5S2 |
|---|---|
| Molecular Weight | 479.10052 g/mol |
| LogP | 6.8351 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.10052 |
| Monoisotopic Mass | 479.10052 |
| Heavy Atoms | 32 |
| Complexity | 1469.6335 |
Chemical Identifiers
| CAS Number | 836624-82-9 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NN=C(N5C=N4)SCC6=CC=C(C=C6)Cl |
Product Overview
AC1MORT4 (CAS 836624-82-9), with molecular formula C24H22ClN5S2 and molecular weight 479.10052 g/mol. IUPAC: 6-[(4-chlorophenyl)methylsulfanyl]-14-propan-2-yl-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)-heptaene.
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