AC1NJWCM
[4-[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-hexaen-12-yl]piperazin-1-yl]-phenylmethanone
Also Known As: Oprea1_484421|(4-(4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazin-1-yl)(phenyl)methanone|{4-[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]piperazin-1-yl}(phenyl)methanone
CAS: 889793-30-0
| Molecular Formula | C27H29N5OS |
|---|---|
| Molecular Weight | 471.2093 g/mol |
| LogP | 4.8891 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.2093 |
| Monoisotopic Mass | 471.2093 |
| Heavy Atoms | 34 |
| Complexity | 1372.5659 |
Chemical Identifiers
| CAS Number | 889793-30-0 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)N5CCN(CC5)C(=O)C6=CC=CC=C6 |
Product Overview
AC1NJWCM (CAS 889793-30-0), with molecular formula C27H29N5OS and molecular weight 471.2093 g/mol. IUPAC: [4-[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-hexaen-12-yl]piperazin-1-yl]-phenylmethanone.
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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