(5E)-5-{[3-bromo-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

(5E)-5-{[3-bromo-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

Formula: C22H17BrN2O5

SMILES: CCOC1=CC=C(C=C1)N1C(=O)NC(=O)C(=C/C2=CC=C(OCC#C)C(Br)=C2)C1=O

IUPAC: (5E)-5-{[3-bromo-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C22H17BrN2O5/c1-3-11-30-19-10-5-14(13-18(19)23)12-17-20(26)24-22(28)25(21(17)27)15-6-8-16(9-7-15)29-4-2/h1,5-10,12-13H,4,11H2,2H3,(H,24,26,28)/b17-12+

Composition: C (56.31%), H (3.65%), Br (17.03%), N (5.97%), O (17.05%)

Molar Mass: 469.291

Atom Count: 47

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	468.032085
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YLYVOIMDFZZYOX-SFQUDFHCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.67
Topological Polar Surface Area	84.94
Polarizability	42.95
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17BrN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00