AC1LH50B
7-benzyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: Oprea1_068685|Oprea1_335666|BAS 03374208|AO-364/40760720|5-benzyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|5-benzyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|4-Benzyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene|5-benzyl-4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[4,3-e]py rimidine
| Molecular Formula | C18H16N4S |
|---|---|
| Molecular Weight | 320.10956 g/mol |
| LogP | 3.8086 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.10956 |
| Monoisotopic Mass | 320.10956 |
| Heavy Atoms | 23 |
| Complexity | 1000.14246 |
Chemical Identifiers
| CAS Number | 77995-36-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4)CC5=CC=CC=C5 |
Product Overview
AC1LH50B (CAS 77995-36-9), with molecular formula C18H16N4S and molecular weight 320.10956 g/mol. IUPAC: 7-benzyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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