Cambridge id 5787003
4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: BAS 01024293|AB00096796-01|AE-848/36502029|BRD-K29913979-001-01-1|2-(pyridin-4-yl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-(4-pyridinyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-(4-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE|2-(pyridin-4-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
| Molecular Formula | C16H13N5S |
|---|---|
| Molecular Weight | 307.08917 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.08917 |
| Monoisotopic Mass | 307.08917 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 333775-44-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=NC=C5 |
| InChIKey | WKJIPWNXTCWCKH-UHFFFAOYSA-N |
Product Overview
Cambridge id 5787003 (CAS 333775-44-3), with molecular formula C16H13N5S and molecular weight 307.08917 g/mol. IUPAC: 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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