2-(4-chlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.0³,?.0¹¹,¹?]heptadeca-1(10),3(8),11(16),12,14-pentaene-4,6,17-trione

2-(4-chlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.0³,?.0¹¹,¹?]heptadeca-1(10),3(8),11(16),12,14-pentaene-4,6,17-trione

Formula: C21H14ClN3O3

SMILES: CN1C(=O)NC(=O)C2=C1NC1=C(C2C2=CC=C(Cl)C=C2)C(=O)C2=C1C=CC=C2

IUPAC: 2-(4-chlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.0³,?.0¹¹,¹?]heptadeca-1(10),3(8),11(16),12,14-pentaene-4,6,17-trione

InChI: InChI=1/C21H14ClN3O3/c1-25-19-16(20(27)24-21(25)28)14(10-6-8-11(22)9-7-10)15-17(23-19)12-4-2-3-5-13(12)18(15)26/h2-9,14,23H,1H3,(H,24,27,28)

Composition: C (64.38%), H (3.60%), Cl (9.05%), N (10.72%), O (12.25%)

Molar Mass: 391.81

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	391.072369
Formal Charge	0
FSP3	0.1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	LCKSDRSHPZMNIW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.79
Topological Polar Surface Area	78.51
Polarizability	39.32
Ring Count	5
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H14ClN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00