ChemDiv1_021807
16-(2-phenylethylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: ChemDiv1_021807|Oprea1_460796|Oprea1_775928|HMS648P05|UPCMLD0ENAT5766144:001|BAS 00312811|AB00133303-02|SR-01000433897-1|16-[(2-phenylethyl)amino]-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile|F1092-0097|11-(phenethylamino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile|11-(PHENETHYLAMINO)-2,3-DIHYDRO-1H-CYCLOPENTA[4,5]PYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE|11-[(2-phenylethyl)amino]-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cyclopenta[1, 2-d]pyridine-4-carbonitrile|11-[(2-phenylethyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C23H20N4 |
|---|---|
| Molecular Weight | 352.1688 g/mol |
| LogP | 4.50248 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1688 |
| Monoisotopic Mass | 352.1688 |
| Heavy Atoms | 27 |
| Complexity | 1182.1705 |
Chemical Identifiers
| CAS Number | 305331-99-1 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCCC5=CC=CC=C5)C#N |
Product Overview
ChemDiv1_021807 (CAS 305331-99-1), with molecular formula C23H20N4 and molecular weight 352.1688 g/mol. IUPAC: 16-(2-phenylethylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.