3-(adamantan-1-ylformohydrazido)-N-(4-bromo-2-methylphenyl)but-2-enamide

3-(adamantan-1-ylformohydrazido)-N-(4-bromo-2-methylphenyl)but-2-enamide

Formula: C22H28BrN3O2

SMILES: CC(NNC(=O)C12CC3CC(CC(C3)C1)C2)=CC(=O)NC1=CC=C(Br)C=C1C

IUPAC: 3-[(adamantan-1-yl)formohydrazido]-N-(4-bromo-2-methylphenyl)but-2-enamide

InChI: InChI=1S/C22H28BrN3O2/c1-13-5-18(23)3-4-19(13)24-20(27)6-14(2)25-26-21(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17,25H,7-12H2,1-2H3,(H,24,27)(H,26,28)

Composition: C (59.20%), H (6.32%), Br (17.90%), N (9.41%), O (7.17%)

Molar Mass: 446.389

Atom Count: 56

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	445.13649
Formal Charge	0
FSP3	0.55
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	IXILBLWNIDDIPP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	126.79
Topological Polar Surface Area	70.23
Polarizability	43.58
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H28BrN3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00