3-[(E)-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}amino]-1-phenylurea

3-[(E)-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}amino]-1-phenylurea

Formula: C19H22N6O3

SMILES: CN1CCN(CC1)C1=CC=C(C=C1C=NNC(=O)NC1=CC=CC=C1)[N+]([O-])=O

IUPAC: 3-[(E)-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}amino]-1-phenylurea

InChI: InChI=1S/C19H22N6O3/c1-23-9-11-24(12-10-23)18-8-7-17(25(27)28)13-15(18)14-20-22-19(26)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H2,21,22,26)/b20-14+

Composition: C (59.67%), H (5.80%), N (21.98%), O (12.55%)

Molar Mass: 382.424

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	382.175338592
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	NKUWORLJLXKSOF-XSFVSMFZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.5
Topological Polar Surface Area	103.11
Polarizability	39.68
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H22N6O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00