NSC49487
1,3,6,8,11,13,16,18-octazatricyclo[16.2.2.28,11]tetracosane-4,5,14,15-tetrathione
Also Known As: NCIStruc1_001181|NCIStruc2_001004|NCGC00013618-02|NCGC00096730-01|N,N-dimethyl-1-phenylethane-1,2-diamine|NCI60_004187|1,3,6,8,11,13,16,18-Octaazatricyclo[16.2.2.28,11]tetracosane-4,5,14,15-tetrathione|1,3,6,8,11,13,16,18-Octazatricyclo[16.2.2.28,11]tetracosane-4,5,14,15-tetrathione|1,6,8,11,13,16,18-octaazatricyclo[16.2.2.2-8,11-]tetracosane-4,5,14,15-tetrathione,|3,6,10,13-Tetraaza-1,8(1,4)-dipiperazinacyclotetradecaphane-4,5,11,12-tetrathione|1,3,6,8,11,13,16,18-octaazatricyclo[16.2.2.2~8,11~]tetracosane-4,5,14,15-tetrathione
| Molecular Formula | C16H28N8S4 |
|---|---|
| Molecular Weight | 460.132 g/mol |
| LogP | -1.2668 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 460.132 |
| Monoisotopic Mass | 460.132 |
| Heavy Atoms | 28 |
| Complexity | 495.45166 |
Chemical Identifiers
| CAS Number | 6342-26-3 |
|---|---|
| SMILES | C1CN2CCN1CNC(=S)C(=S)NCN3CCN(CC3)CNC(=S)C(=S)NC2 |
Product Overview
NSC49487 (CAS 6342-26-3), with molecular formula C16H28N8S4 and molecular weight 460.132 g/mol. IUPAC: 1,3,6,8,11,13,16,18-octazatricyclo[16.2.2.28,11]tetracosane-4,5,14,15-tetrathione.
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