11-{[(3,4-dimethoxyphenyl)methyl]amino}-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),9,11-trien-2-one

11-{[(3,4-dimethoxyphenyl)methyl]amino}-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),9,11-trien-2-one

Formula: C17H19N5O3

SMILES: COC1=CC=C(CNC2=NN3C(NC4=C(CCC4)C3=O)=N2)C=C1OC

IUPAC: 11-{[(3,4-dimethoxyphenyl)methyl]amino}-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),9,11-trien-2-one

InChI: InChI=1S/C17H19N5O3/c1-24-13-7-6-10(8-14(13)25-2)9-18-16-20-17-19-12-5-3-4-11(12)15(23)22(17)21-16/h6-8H,3-5,9H2,1-2H3,(H2,18,19,20,21)

Composition: C (59.81%), H (5.61%), N (20.52%), O (14.06%)

Molar Mass: 341.371

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	341.148789492
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	RDIWMOLAGJPEBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.8
Topological Polar Surface Area	90.3
Polarizability	34.45
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H19N5O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00