AC1NKO56
13-tert-butyl-N-(2-hydroxypropyl)-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-(2-hydroxypropyl)-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-(2-hydroxypropyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
| Molecular Formula | C19H25N5O2S |
|---|---|
| Molecular Weight | 387.17288 g/mol |
| LogP | 2.6006 |
| Topological Polar Surface Area | 92.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.17288 |
| Monoisotopic Mass | 387.17288 |
| Heavy Atoms | 27 |
| Complexity | 1014.6093 |
Chemical Identifiers
| CAS Number | 899412-69-2 |
|---|---|
| SMILES | CC(CNC(=O)C1=NN2C=NC3=C(C2=N1)C4=C(S3)CC(CC4)C(C)(C)C)O |
Product Overview
AC1NKO56 (CAS 899412-69-2), with molecular formula C19H25N5O2S and molecular weight 387.17288 g/mol. IUPAC: 13-tert-butyl-N-(2-hydroxypropyl)-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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