CHEMBL572372
4-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol
Also Known As: 4-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol|AO-022/43009462|4-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol|4-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol|4-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-ylidene)cyclohexa-2,5-dien-1-one
| Molecular Formula | C17H14N4OS |
|---|---|
| Molecular Weight | 322.08884 g/mol |
| LogP | 3.5904 |
| Topological Polar Surface Area | 63.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.08884 |
| Monoisotopic Mass | 322.08884 |
| Heavy Atoms | 23 |
| Complexity | 1032.2992 |
Chemical Identifiers
| CAS Number | 896827-92-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=C(C=C5)O |
Product Overview
CHEMBL572372 (CAS 896827-92-2), with molecular formula C17H14N4OS and molecular weight 322.08884 g/mol. IUPAC: 4-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol.
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