2-(4-chlorophenyl)-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)-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: C20H12ClN3O3

SMILES: ClC1=CC=C(C=C1)C1C2=C(NC3=C1C(=O)NC(=O)N3)C1=C(C=CC=C1)C2=O

IUPAC: 2-(4-chlorophenyl)-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/C20H12ClN3O3/c21-10-7-5-9(6-8-10)13-14-16(11-3-1-2-4-12(11)17(14)25)22-18-15(13)19(26)24-20(27)23-18/h1-8,13H,(H3,22,23,24,26,27)

Composition: C (63.59%), H (3.20%), Cl (9.38%), N (11.12%), O (12.70%)

Molar Mass: 377.78

Atom Count: 39

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	377.056719
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	HHKMKWVHHTUBRM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.89
Topological Polar Surface Area	87.3
Polarizability	37.48
Ring Count	5
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H12ClN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00