4,5-dimethoxy-15-[4-(trifluoromethyl)phenyl]-10,14,15-triazatetracyclo[8.7.0.0²,?.0¹²,¹?]heptadeca-2(7),3,5,12(16),13-pentaen-11-one

4,5-dimethoxy-15-[4-(trifluoromethyl)phenyl]-10,14,15-triazatetracyclo[8.7.0.0²,?.0¹²,¹?]heptadeca-2(7),3,5,12(16),13-pentaen-11-one

CAS: 685108-22-9

Formula: C23H20F3N3O3

SMILES: COC1=CC2=C(C=C1OC)C1CC3=C(C=NN3C3=CC=C(C=C3)C(F)(F)F)C(=O)N1CC2

IUPAC: 4,5-dimethoxy-15-[4-(trifluoromethyl)phenyl]-10,14,15-triazatetracyclo[8.7.0.0²,?.0¹²,¹?]heptadeca-2(7),3,5,12(16),13-pentaen-11-one

InChI: InChI=1/C23H20F3N3O3/c1-31-20-9-13-7-8-28-18(16(13)10-21(20)32-2)11-19-17(22(28)30)12-27-29(19)15-5-3-14(4-6-15)23(24,25)26/h3-6,9-10,12,18H,7-8,11H2,1-2H3

Composition: C (62.30%), H (4.55%), F (12.85%), N (9.48%), O (10.82%)

Molar Mass: 443.426

Atom Count: 52

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	443.145676005
Formal Charge	0
FSP3	0.3
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RLRCQBCOGRYWKP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.08
Topological Polar Surface Area	56.59
Polarizability	41.83
Ring Count	5
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	685108-22-9		$51.35-$86.31$51.35$63.37$86.31