N-(3-Cyanophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole-1-acetamide

HCID 39147992

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Basic information

CAS: 1176544-49-2
Standard SMILES: N#Cc1cccc(NC(=O)Cn2cnc3cc4c(cc32)OCCO4)c1
InChIKey: YHLVILBTVMUQMT-UHFFFAOYSA-N
Molecular formula: C18H14N4O3
Average molar mass: 334.3 g/mol
Monoisotopic mass: 334.10659032

Names & identifiers

Preferred name: N-(3-Cyanophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole-1-acetamide
IUPAC: N-(3-cyanophenyl)-2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide

Names & synonyms

DTXSID001140348N-(3-Cyanophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole-1-acetamide1176544-49-2N-(3-Cyanophenyl)-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl)acetamide

Database identifiers

CAS: 1176544-49-2
PubChem CID: 39147992
DTXSID: DTXSID001140348

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 89.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 548

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