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9,12-dimethyl-8,13-dioxa-3,18-diazatricyclo[12.4.0.0²,?]octadeca-1(14),2(7),3,5,15,17-hexaene

9,12-dimethyl-8,13-dioxa-3,18-diazatricyclo[12.4.0.0²,?]octadeca-1(14),2(7),3,5,15,17-hexaene

Formula: C16H18N2O2

SMILES: CC1CCC(C)OC2=C(N=CC=C2)C2=C(O1)C=CC=N2

IUPAC: 9,12-dimethyl-8,13-dioxa-3,18-diazatricyclo[12.4.0.0²,?]octadeca-1(14),2(7),3,5,15,17-hexaene

InChI: InChI=1/C16H18N2O2/c1-11-7-8-12(2)20-14-6-4-10-18-16(14)15-13(19-11)5-3-9-17-15/h3-6,9-12H,7-8H2,1-2H3

Composition: C (71.09%), H (6.71%), N (10.36%), O (11.84%)

Molar Mass: 270.332

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 270.136827828
Formal Charge 0
FSP3 0.37
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey LHRCANAXXJTXQL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.44
Topological Polar Surface Area 44.24
Polarizability 31.18
Ring Count 3
Rotatable Bond Count 0

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