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1-{furo[3,2-c]pyridin-4-yl}-1,4-diazepane

1-{furo[3,2-c]pyridin-4-yl}-1,4-diazepane

CAS: 845885-87-2

Formula: C12H15N3O

SMILES: C1CNCCN(C1)C1=C2C=COC2=CC=N1

IUPAC: 1-{furo[3,2-c]pyridin-4-yl}-1,4-diazepane

InChI: InChI=1S/C12H15N3O/c1-4-13-6-8-15(7-1)12-10-3-9-16-11(10)2-5-14-12/h2-3,5,9,13H,1,4,6-8H2

Composition: C (66.34%), H (6.96%), N (19.34%), O (7.36%)

Molar Mass: 217.272

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 217.121512115
Formal Charge 0
FSP3 0.42
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JGVLLHBTSVQMHS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.11
Topological Polar Surface Area 41.3
Polarizability 24.96
Ring Count 3
Rotatable Bond Count 1

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95% <2 Days 845885-87-2 $51.35-$252.37$51.35$63.37$86.31$252.37
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