16,17-dimethoxy-21,21-dimethyl-1,3,10-triazapentacyclo[11.8.0.0²,¹¹.0?,?.0¹?,¹?]henicosa-2,4,6,8,10,12,14(19),15,17-nonaene

16,17-dimethoxy-21,21-dimethyl-1,3,10-triazapentacyclo[11.8.0.0²,¹¹.0?,?.0¹?,¹?]henicosa-2,4,6,8,10,12,14(19),15,17-nonaene

CAS: 163769-88-8

Formula: C22H21N3O2

SMILES: COC1=CC2=C(C=C1OC)C1=CC3=NC4=CC=CC=C4N=C3N1C(C)(C)C2

IUPAC: 16,17-dimethoxy-21,21-dimethyl-1,3,10-triazapentacyclo[11.8.0.0²,¹¹.0?,?.0¹?,¹?]henicosa-2,4,6,8,10,12,14(19),15,17-nonaene

InChI: InChI=1S/C22H21N3O2/c1-22(2)12-13-9-19(26-3)20(27-4)10-14(13)18-11-17-21(25(18)22)24-16-8-6-5-7-15(16)23-17/h5-11H,12H2,1-4H3

Composition: C (73.52%), H (5.89%), N (11.69%), O (8.90%)

Molar Mass: 359.429

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	359.163376928
Formal Charge	0
FSP3	0.27
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HIXSPVQXXDULHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.32
Topological Polar Surface Area	49.17
Polarizability	43.14
Ring Count	5
Rotatable Bond Count	2

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