3,4-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

3,4-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

Formula: C20H22N4O3S

SMILES: CC1=CC=C(C=C1C)C(=O)NC(=S)N1CCN(CC1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 3,4-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

InChI: InChI=1S/C20H22N4O3S/c1-14-3-4-16(13-15(14)2)19(25)21-20(28)23-11-9-22(10-12-23)17-5-7-18(8-6-17)24(26)27/h3-8,13H,9-12H2,1-2H3,(H,21,25,28)

Composition: C (60.28%), H (5.57%), N (14.06%), O (12.04%), S (8.05%)

Molar Mass: 398.48

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	398.141261758
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MGIDLIGCJZZQSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.11
Topological Polar Surface Area	78.72
Polarizability	42.34
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00