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2-(2H-1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1³,?]decan-6-one

2-(2H-1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1³,?]decan-6-one

Formula: C17H20N2O3

SMILES: CC12CN3CC(C)(CN(C1)C3C1=CC=C3OCOC3=C1)C2=O

IUPAC: 2-(2H-1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1³,?]decan-6-one

InChI: InChI=1S/C17H20N2O3/c1-16-6-18-8-17(2,15(16)20)9-19(7-16)14(18)11-3-4-12-13(5-11)22-10-21-12/h3-5,14H,6-10H2,1-2H3

Composition: C (67.98%), H (6.71%), N (9.33%), O (15.98%)

Molar Mass: 300.358

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 300.147392512
Formal Charge 0
FSP3 0.59
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey ZWEHTHLEYIVOLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.78
Topological Polar Surface Area 42.01
Polarizability 32.15
Ring Count 5
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H20N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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