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Chemical ID: 5858092

CC(C)C(C(=O)NN=Cc1ccc(cc1)OCc2ccc(cc2)F)NC(=O)c3cccc(c3)Cl

Chemical ID:

5858092

Name [?]:

3-chloro-N-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyleneaminocarbamoyl]-2-methyl-propyl]-benzamide

SMILES [?]:

CC(C)C(C(=O)NN=Cc1ccc(cc1)OCc2ccc(cc2)F)NC(=O)c3cccc(c3)Cl

InChi [?]:

InChI=1/C26H25ClFN3O3/c1-17(2)24(30-25(32)20-4-3-5-21(27)14-20)26(33)31-29-15-18-8-12-23(13-9-18)34-16-19-6-10-22(28)11-7-19/h3-15,17,24H,16H2,1-2H3,(H,30,32)(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,3,30,29,31,19,23,11,15,20,22,12,14,33,9,17,2,10,18,28,32,21,13,4,26,5,34,24,8,25,7,27,6,16/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:34cCCCCCONNCCCCCCCOCCCCCCCFNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;d19;s20;d21;d18s22;s21;s4;s25;d26;s26;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅ClFN₃O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	12.5465
Area:	745.407
Solvation:	-6.08865
Coulombic:	-54.9487

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	481.946
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.75
LogP (Chemaxon):	5.76

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

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Chemical Mix	Source	External ID	Descriptor	Value