3-[(E)-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)amino]-1-(4-methylphenyl)thiourea

3-[(E)-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)amino]-1-(4-methylphenyl)thiourea

Formula: C25H27N3O3S

SMILES: COC1=CC(C=NNC(=S)NC2=CC=C(C)C=C2)=CC=C1OCCOC1=CC=C(C)C=C1

IUPAC: 3-[(E)-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)amino]-1-(4-methylphenyl)thiourea

InChI: InChI=1S/C25H27N3O3S/c1-18-4-9-21(10-5-18)27-25(32)28-26-17-20-8-13-23(24(16-20)29-3)31-15-14-30-22-11-6-19(2)7-12-22/h4-13,16-17H,14-15H2,1-3H3,(H2,27,28,32)/b26-17+

Composition: C (66.79%), H (6.05%), N (9.35%), O (10.68%), S (7.13%)

Molar Mass: 449.57

Atom Count: 59

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	449.177312915
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VGSZJSPEELZQRB-YZSQISJMSA-N
Lipinski's Rule of Five
Molar Refractivity	134.25
Topological Polar Surface Area	64.11
Polarizability	50.72
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H27N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00