AC1LZPMW
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-propyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 2-((benzo[d]thiazol-2-ylthio)methyl)-9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C21H20N6S3 |
|---|---|
| Molecular Weight | 452.09116 g/mol |
| LogP | 5.0091 |
| Topological Polar Surface Area | 59.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.09116 |
| Monoisotopic Mass | 452.09116 |
| Heavy Atoms | 30 |
| Complexity | 1334.6232 |
Chemical Identifiers
| CAS Number | 842976-99-2 |
|---|---|
| SMILES | CCCN1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6S5 |
Product Overview
AC1LZPMW (CAS 842976-99-2), with molecular formula C21H20N6S3 and molecular weight 452.09116 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-propyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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