ethyl 4-heptadecyl-2,3,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),4,6,8,10-pentaene-10-carboxylate

ethyl 4-heptadecyl-2,3,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),4,6,8,10-pentaene-10-carboxylate

Formula: C29H45N3O2

SMILES: CCCCCCCCCCCCCCCCCC1=CC2=NC3=CC(=CC=C3N2N1)C(=O)OCC

IUPAC: ethyl 4-heptadecyl-2,3,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),4,6,8,10-pentaene-10-carboxylate

InChI: InChI=1S/C29H45N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-23-28-30-26-22-24(29(33)34-4-2)20-21-27(26)32(28)31-25/h20-23,31H,3-19H2,1-2H3

Composition: C (74.48%), H (9.70%), N (8.98%), O (6.84%)

Molar Mass: 467.698

Atom Count: 79

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	467.351177701
Formal Charge	0
FSP3	0.66
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HJCYBLVYUUTXOR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	161.49
Topological Polar Surface Area	59.39
Polarizability	56.03
Ring Count	3
Rotatable Bond Count	19

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H45N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00