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Chemical ID: 6010176

CCOCCCN(CC(=O)Nc1ccon1)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F

Chemical ID:

6010176

Name [?]:

N-(3-ethoxypropyl)-N-(isoxazol-3-ylcarbamoylmethyl)-3,5-bis(trifluoromethyl)benzamide

SMILES [?]:

CCOCCCN(CC(=O)Nc1ccon1)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F

InChi [?]:

InChI=1/C19H19F6N3O4/c1-2-31-6-3-5-28(11-16(29)26-15-4-7-32-27-15)17(30)12-8-13(18(20,21)22)10-14(9-12)19(23,24)25/h4,7-10H,2-3,5-6,11H2,1H3,(H,26,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,5,13,6,4,14,20,24,22,8,19,21,23,12,9,17,29,25,30,31,32,26,27,28,11,16,7,10,18,3,15/E:(8,9)(13,14)(18,19)(20,21,22,23,24,25)/rA:32nCCOCCCNCCONCCCONCOCCCCCCCFFFCFFF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d12s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;s21;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉F₆N₃O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	7.82685
Area:	624.542
Solvation:	-7.78669
Coulombic:	-83.4782

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	467.362
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.8
LogP (Chemaxon):	3.47

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value