Zinc04135816
16-(3-hydroxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: ChemDivAM_000948|ChemDiv1_021501|HMS648B07|BAS 00312830|AB00099639-01|16-[(3-hydroxypropyl)amino]-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile|SR-01000433898-1|F1092-0102|11-((3-hydroxypropyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile|11-[(3-hydroxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile|11-[(3-hydroxypropyl)amino]-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cyclopenta[ 1,2-d]pyridine-4-carbonitrile|11-[(3-hydroxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide|11-[(3-Hydroxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile|16-(3-hydroxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
| Molecular Formula | C18H18N4O |
|---|---|
| Molecular Weight | 306.14807 g/mol |
| LogP | 2.64218 |
| Topological Polar Surface Area | 73.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.14807 |
| Monoisotopic Mass | 306.14807 |
| Heavy Atoms | 23 |
| Complexity | 935.7256 |
Chemical Identifiers
| CAS Number | 5863-27-4 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCCCO)C#N |
Product Overview
Zinc04135816 (CAS 5863-27-4), with molecular formula C18H18N4O and molecular weight 306.14807 g/mol. IUPAC: 16-(3-hydroxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
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