AC1NJUUK
3-[(7-propan-2-yl-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)sulfanyl]propane-1,2-diol
Also Known As: 3-((4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)propane-1,2-diol|3-{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}propane-1,2-diol
| Molecular Formula | C18H21N3O2S2 |
|---|---|
| Molecular Weight | 375.1075 g/mol |
| LogP | 3.2969 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.1075 |
| Monoisotopic Mass | 375.1075 |
| Heavy Atoms | 25 |
| Complexity | 939.102 |
Chemical Identifiers
| CAS Number | 844654-36-0 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SCC(CO)O |
Product Overview
AC1NJUUK (CAS 844654-36-0), with molecular formula C18H21N3O2S2 and molecular weight 375.1075 g/mol. IUPAC: 3-[(7-propan-2-yl-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)sulfanyl]propane-1,2-diol.
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