1-[2-methoxy-4-(methylsulfanyl)benzoyl]-4-(4-nitrophenyl)piperazine

1-[2-methoxy-4-(methylsulfanyl)benzoyl]-4-(4-nitrophenyl)piperazine

Formula: C19H21N3O4S

SMILES: COC1=CC(SC)=CC=C1C(=O)N1CCN(CC1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 1-[2-methoxy-4-(methylsulfanyl)benzoyl]-4-(4-nitrophenyl)piperazine

InChI: InChI=1S/C19H21N3O4S/c1-26-18-13-16(27-2)7-8-17(18)19(23)21-11-9-20(10-12-21)14-3-5-15(6-4-14)22(24)25/h3-8,13H,9-12H2,1-2H3

Composition: C (58.90%), H (5.46%), N (10.85%), O (16.52%), S (8.27%)

Molar Mass: 387.45

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	387.125277342
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	ATYFEZHKFBVTRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.02
Topological Polar Surface Area	75.92
Polarizability	39.82
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00