(5Z)-5-{[4-(2-bromoethoxy)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

(5Z)-5-{[4-(2-bromoethoxy)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

Formula: C20H17BrN2O4

SMILES: CC1=CC(=CC=C1)N1C(=O)NC(=O)C(=CC2=CC=C(OCCBr)C=C2)C1=O

IUPAC: (5Z)-5-{[4-(2-bromoethoxy)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C20H17BrN2O4/c1-13-3-2-4-15(11-13)23-19(25)17(18(24)22-20(23)26)12-14-5-7-16(8-6-14)27-10-9-21/h2-8,11-12H,9-10H2,1H3,(H,22,24,26)/b17-12-

Composition: C (55.96%), H (3.99%), Br (18.61%), N (6.53%), O (14.91%)

Molar Mass: 429.27

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	428.03717
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KMHLKNJZJASXBT-ATVHPVEESA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.63
Topological Polar Surface Area	75.71
Polarizability	39.48
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17BrN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00