1-bromo-17-(3-methylphenyl)-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

1-bromo-17-(3-methylphenyl)-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

Formula: C25H18BrNO2

SMILES: CC1=CC=CC(=C1)N1C(=O)C2C(C1=O)C1(Br)C3=C(C=CC=C3)C2C2=C1C=CC=C2

IUPAC: 1-bromo-17-(3-methylphenyl)-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

InChI: InChI=1/C25H18BrNO2/c1-14-7-6-8-15(13-14)27-23(28)21-20-16-9-2-4-11-18(16)25(26,22(21)24(27)29)19-12-5-3-10-17(19)20/h2-13,20-22H,1H3

Composition: C (67.58%), H (4.08%), Br (17.98%), N (3.15%), O (7.20%)

Molar Mass: 444.328

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	443.052092
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IVKLTXNLNLZXFR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	115.16
Topological Polar Surface Area	37.38
Polarizability	43.99
Ring Count	6
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H18BrNO2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00