AC1NIQQA
13-tert-butyl-N-(pyridin-3-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
Also Known As: 9-(tert-butyl)-N-(pyridin-3-ylmethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide|9-tert-butyl-N-(pyridin-3-ylmethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
| Molecular Formula | C22H24N6OS |
|---|---|
| Molecular Weight | 420.17322 g/mol |
| LogP | 3.815 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.17322 |
| Monoisotopic Mass | 420.17322 |
| Heavy Atoms | 30 |
| Complexity | 1237.4655 |
Chemical Identifiers
| CAS Number | 896595-84-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C(=O)NCC5=CN=CC=C5 |
Product Overview
AC1NIQQA (CAS 896595-84-9), with molecular formula C22H24N6OS and molecular weight 420.17322 g/mol. IUPAC: 13-tert-butyl-N-(pyridin-3-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide.
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