(5E)-1-[4-(adamantan-1-yl)phenyl]-5-[(5-iodofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

(5E)-1-[4-(adamantan-1-yl)phenyl]-5-[(5-iodofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Formula: C25H23IN2O4

SMILES: IC1=CC=C(O1)C=C1/C(=O)NC(=O)N(C1=O)C1=CC=C(C=C1)C12CC3CC(CC(C3)C1)C2

IUPAC: (5E)-1-[4-(adamantan-1-yl)phenyl]-5-[(5-iodofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C25H23IN2O4/c26-21-6-5-19(32-21)10-20-22(29)27-24(31)28(23(20)30)18-3-1-17(2-4-18)25-11-14-7-15(12-25)9-16(8-14)13-25/h1-6,10,14-16H,7-9,11-13H2,(H,27,29,31)/b20-10+

Composition: C (55.36%), H (4.27%), I (23.40%), N (5.17%), O (11.80%)

Molar Mass: 542.373

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	542.07025
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AHDWHLFNINORNS-KEBDBYFISA-N
Lipinski's Rule of Five
Molar Refractivity	125.56
Topological Polar Surface Area	79.62
Polarizability	48.91
Ring Count	6
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H23IN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00