3-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylurea

3-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylurea

CAS: 514199-72-5

Formula: C19H21F3N4O

SMILES: CN1CCN(CC1)C1=C(NC(=O)NC2=CC=CC=C2)C=C(C=C1)C(F)(F)F

IUPAC: 3-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylurea

InChI: InChI=1S/C19H21F3N4O/c1-25-9-11-26(12-10-25)17-8-7-14(19(20,21)22)13-16(17)24-18(27)23-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H2,23,24,27)

Composition: C (60.31%), H (5.59%), F (15.06%), N (14.81%), O (4.23%)

Molar Mass: 378.399

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	378.166745801
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SMUUVKIPEMSGIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.51
Topological Polar Surface Area	47.61
Polarizability	36.25
Ring Count	3
Rotatable Bond Count	4

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90%	<2 Days	514199-72-5		$51.35-$524.40$51.35$63.37$86.31$524.40