AC1N036P
9,15-dimethyl-3-(3-phenylpropylsulfanyl)-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene
Also Known As: 2,12-dimethyl-7-((3-phenylpropyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine|2,12-dimethyl-7-[(3-phenylpropyl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
| Molecular Formula | C23H24N6S2 |
|---|---|
| Molecular Weight | 448.1504 g/mol |
| LogP | 5.14482 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.1504 |
| Monoisotopic Mass | 448.1504 |
| Heavy Atoms | 31 |
| Complexity | 1398.0277 |
Chemical Identifiers
| CAS Number | 849035-22-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCCCC5=CC=CC=C5)N6C3=NC(=N6)C |
Product Overview
AC1N036P (CAS 849035-22-9), with molecular formula C23H24N6S2 and molecular weight 448.1504 g/mol. IUPAC: 9,15-dimethyl-3-(3-phenylpropylsulfanyl)-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene.
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