5-({4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1,3-diazinane-2,4,6-trione

5-({4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1,3-diazinane-2,4,6-trione

Formula: C20H17BrN2O5

SMILES: CCOC1=CC(C=C2C(=O)NC(=O)NC2=O)=CC=C1OCC1=CC=C(Br)C=C1

IUPAC: 5-({4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C20H17BrN2O5/c1-2-27-17-10-13(9-15-18(24)22-20(26)23-19(15)25)5-8-16(17)28-11-12-3-6-14(21)7-4-12/h3-10H,2,11H2,1H3,(H2,22,23,24,25,26)

Composition: C (53.95%), H (3.85%), Br (17.95%), N (6.29%), O (17.97%)

Molar Mass: 445.269

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	444.032085
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XKQGQPMHWZECDF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.03
Topological Polar Surface Area	93.73
Polarizability	40.39
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17BrN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00