ethyl 4-methyl-7-[2-(4-methylphenoxy)ethyl]-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene-3-carboxylate

ethyl 4-methyl-7-[2-(4-methylphenoxy)ethyl]-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene-3-carboxylate

Formula: C22H23N3O3

SMILES: CCOC(=O)C1=C(C)N=C2N(CCOC3=CC=C(C)C=C3)C3=CC=CC=C3N12

IUPAC: ethyl 4-methyl-7-[2-(4-methylphenoxy)ethyl]-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene-3-carboxylate

InChI: InChI=1S/C22H23N3O3/c1-4-27-21(26)20-16(3)23-22-24(18-7-5-6-8-19(18)25(20)22)13-14-28-17-11-9-15(2)10-12-17/h5-12H,4,13-14H2,1-3H3

Composition: C (70.01%), H (6.14%), N (11.13%), O (12.72%)

Molar Mass: 377.444

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	377.173941613
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BAFNLOKVFFDRAE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.2
Topological Polar Surface Area	57.76
Polarizability	42.16
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H23N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00