AC1NL9OY
12-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-7-(2-methylpropyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Also Known As: Oprea1_030174|4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|7-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS: 889793-36-6
| Molecular Formula | C27H31N5O2S2 |
|---|---|
| Molecular Weight | 521.1919 g/mol |
| LogP | 4.74602 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.1919 |
| Monoisotopic Mass | 521.1919 |
| Heavy Atoms | 36 |
| Complexity | 1553.1321 |
Chemical Identifiers
| CAS Number | 889793-36-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC4=C3SC5=C4C6=C(CCC6)C(=N5)CC(C)C |
Product Overview
AC1NL9OY (CAS 889793-36-6), with molecular formula C27H31N5O2S2 and molecular weight 521.1919 g/mol. IUPAC: 12-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-7-(2-methylpropyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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