AC1NKOT6
13-tert-butyl-N-(3-morpholin-4-ylpropyl)-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-(3-morpholinopropyl)-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-[3-(morpholin-4-yl)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
| Molecular Formula | C23H32N6O2S |
|---|---|
| Molecular Weight | 456.23074 g/mol |
| LogP | 2.9421 |
| Topological Polar Surface Area | 84.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.23074 |
| Monoisotopic Mass | 456.23074 |
| Heavy Atoms | 32 |
| Complexity | 1125.0969 |
Chemical Identifiers
| CAS Number | 899401-93-5 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C(=O)NCCCN5CCOCC5 |
Product Overview
AC1NKOT6 (CAS 899401-93-5), with molecular formula C23H32N6O2S and molecular weight 456.23074 g/mol. IUPAC: 13-tert-butyl-N-(3-morpholin-4-ylpropyl)-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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