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Chemical ID: 6158853

CCc1c(nc(s1)NC(=O)c2ccc(cc2)C(C)(C)C)c3ccccc3

Chemical ID:

6158853

Name [?]:

N-(5-ethyl-4-phenyl-thiazol-2-yl)-4-tert-butyl-benzamide

SMILES [?]:

CCc1c(nc(s1)NC(=O)c2ccc(cc2)C(C)(C)C)c3ccccc3

InChi [?]:

InChI=1/C22H24N2OS/c1-5-18-19(15-9-7-6-8-10-15)23-21(26-18)24-20(25)16-11-13-17(14-12-16)22(2,3)4/h6-14H,5H2,1-4H3,(H,23,24,25)

InChi Info:

AuxInfo=1/1/N:1,18,19,20,2,24,23,25,22,26,12,16,13,15,21,11,14,3,4,9,6,17,5,8,10,7/E:(2,3,4)(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCNCSNCOCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s4;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₂OS
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3708
Area:	595.847
Solvation:	-2.52533
Coulombic:	-30.7917

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	364.505
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.75
LogP (Chemaxon):	6.54

Name Annotations

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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