2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-oxoethoxyurea

2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-oxoethoxyurea

CAS: 303150-06-3

Formula: C13H15ClF3N5O3

SMILES: NC(=O)NOCC(=O)N1CCN(CC1)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: (2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-oxoethoxy)urea

InChI: InChI=1S/C13H15ClF3N5O3/c14-9-5-8(13(15,16)17)6-19-11(9)22-3-1-21(2-4-22)10(23)7-25-20-12(18)24/h5-6H,1-4,7H2,(H3,18,20,24)

Composition: C (40.90%), H (3.96%), Cl (9.29%), F (14.93%), N (18.35%), O (12.57%)

Molar Mass: 381.74

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	381.0815516
Formal Charge	0
FSP3	0.46
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KSIARTKPZLQAGO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.57
Topological Polar Surface Area	100.79
Polarizability	30.46
Ring Count	2
Rotatable Bond Count	5

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90%	<2 Days	303150-06-3		$51.35-$524.40$51.35$63.37$86.31$524.40