N- [2- chloro- 5- (trifluoromethyl) phenyl] - N'- [[2- (4- morpholinyl) - 3- pyridinyl] methyl] -Urea - CAS 1211298-93-9

Name: N- [2- chloro- 5- (trifluoromethyl) phenyl] - N'- [[2- (4- morpholinyl) - 3- pyridinyl] methyl] -Urea
Brand: BOC Sciences
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Catalog:	BB070715
Product Name:	N- [2- chloro- 5- (trifluoromethyl) phenyl] - N'- [[2- (4- morpholinyl) - 3- pyridinyl] methyl] -Urea
CAS:	1211298-93-9
Synonyms:	1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]urea; 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-{[2-(morpholin-4-yl)pyridin-3-yl]methyl}urea; N-[2-Chloro-5-(trifluoromethyl)phenyl]-N'-[[2-(4-morpholinyl)-3-pyridinyl]methyl]urea

Technical Data

Computed Properties

IUPAC Name:	1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]urea
Molecular Weight:	414.81
Molecular Formula:	C18H18ClF3N4O2
Canonical SMILES:	C1COCCN1C2=C(C=CC=N2)CNC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI:	InChI=1S/C18H18ClF3N4O2/c19-14-4-3-13(18(20,21)22)10-15(14)25-17(27)24-11-12-2-1-5-23-16(12)26-6-8-28-9-7-26/h1-5,10H,6-9,11H2,(H2,24,25,27)
InChI Key:	JJHCGBJJVJDFIZ-UHFFFAOYSA-N

Complexity:	520
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	414.107038
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	414.107038
Rotatable Bond Count:	4
Topological Polar Surface Area:	66.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9

N- [2- chloro- 5- (trifluoromethyl) phenyl] - N'- [[2- (4- morpholinyl) - 3- pyridinyl] methyl] -Urea - CAS 1211298-93-9

Technical Data

Computed Properties

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