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Chemical ID: 5940262

CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3csc(n3)Nc4cccc(c4)F

Chemical ID:

5940262

Name [?]:

N-[3-[2-(3-fluorophenyl)aminothiazol-4-yl]phenyl]-4-tert-butyl-benzamide

SMILES [?]:

CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3csc(n3)Nc4cccc(c4)F

InChi [?]:

InChI=1/C26H24FN3OS/c1-26(2,3)19-12-10-17(11-13-19)24(31)28-21-8-4-6-18(14-21)23-16-32-25(30-23)29-22-9-5-7-20(27)15-22/h4-16H,1-3H3,(H,28,31)(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,3,4,16,28,17,29,15,27,7,9,6,10,19,31,21,8,18,5,30,14,26,20,11,23,2,32,13,25,24,12,22/E:(1,2,3)(10,11)(12,13)/rA:32nCCCCCCCCCCCONCCCCCCCCSCNNCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s21;s22;s20d23;s23;s25;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄FN₃OS
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4719
Area:	682.249
Solvation:	-3.58433
Coulombic:	-45.6717

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	445.553
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	7.02
LogP (Chemaxon):	7.46

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