4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide

4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide

Formula: C28H34N4O4S

SMILES: COC1=CC=C(C=C1OC)C1CC(=O)C(=CNCCN2CCN(CC2)C(=S)NC2=CC=CC=C2)C(=O)C1

IUPAC: 4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide

InChI: InChI=1S/C28H34N4O4S/c1-35-26-9-8-20(18-27(26)36-2)21-16-24(33)23(25(34)17-21)19-29-10-11-31-12-14-32(15-13-31)28(37)30-22-6-4-3-5-7-22/h3-9,18-19,21,29H,10-17H2,1-2H3,(H,30,37)/b23-19-

Composition: C (64.34%), H (6.56%), N (10.72%), O (12.24%), S (6.13%)

Molar Mass: 522.66

Atom Count: 71

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	522.230076765
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	FKYZRWWDEDHGNG-NMWGTECJSA-N
Lipinski's Rule of Five
Molar Refractivity	150.76
Topological Polar Surface Area	83.14
Polarizability	57.55
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H34N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00