AC1M0G2S
2-[(7-butyl-14-methylsulfanyl-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]acetic acid
Also Known As: {[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetic acid|2-((4-butyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)acetic acid
| Molecular Formula | C19H21N3O2S3 |
|---|---|
| Molecular Weight | 419.0796 g/mol |
| LogP | 4.9694 |
| Topological Polar Surface Area | 75.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.0796 |
| Monoisotopic Mass | 419.0796 |
| Heavy Atoms | 27 |
| Complexity | 1032.3701 |
Chemical Identifiers
| CAS Number | 848764-85-2 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC(=N4)SC)SCC(=O)O |
Product Overview
AC1M0G2S (CAS 848764-85-2), with molecular formula C19H21N3O2S3 and molecular weight 419.0796 g/mol. IUPAC: 2-[(7-butyl-14-methylsulfanyl-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]acetic acid.
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