AC1Nsog7

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Basic information

CAS: 5883-37-4
Standard SMILES: COC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)ccc1Cl
InChIKey: ISBKPCQGCOMERQ-GXDHUFHOSA-N
Molecular formula: C22H14ClN3O3
Average molar mass: 403.8 g/mol
Monoisotopic mass: 403.072369

Names & identifiers

Preferred name: AC1Nsog7
IUPAC: methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate

Names & synonyms

AC1NSOG75883-37-4DTXSID80416680RefChem:314113DTXCID00367529methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoatemethyl 5-{5-[2-(1H-benzimidazol-2-yl)-2-cyanovinyl]-2-furyl}-2-chlorobenzoateSMSF0009299AKOS000443541CB01004AB00100273-01AK-968/11841288

Show more names

Methyl 5-{5-[(E)-2-(1H-1,3-benzimidazol-2-yl)-2-cyanoethen-1-yl]furan-2-yl}-2-chlorobenzoate

Database identifiers

CAS: 5883-37-4
PubChem CID: 5337280
DTXSID: DTXSID80416680

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 91.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 690

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Compound notes

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