Bradyoxetin

AlkaPlorer ID: AK290953

Synonym: 2,2'-(Carbonimidoyldi-4,1-phenylene)bis-3-oxetanamine

IUPAC Name: 2-[4-[4-(3-aminooxetan-2-yl)benzenecarboximidoyl]phenyl]oxetan-3-amine

Structure

SMILES: N=C(C1=CC=C(C2OCC2N)C=C1)C1=CC=C(C2OCC2N)C=C1

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InChI: InChI=1S/C19H21N3O2/c20-15-9-23-18(15)13-5-1-11(2-6-13)17(22)12-3-7-14(8-4-12)19-16(21)10-24-19/h1-8,15-16,18-19,22H,9-10,20-21H2

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InChIKey: IOZKXEGYNIUAKB-UHFFFAOYSA-N

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Reference

PubChem CID: 101214856

CAS: 494225-42-2

Properties Information

Molecule Weight: 323.3960000000001

TPSA: 94.35

MolLogP: 1.89997

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information