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Chemical ID: 5638575

Cc1c(nc(s1)NC(=O)c2ccccc2)c3ccc(cc3)c4ccccc4

Chemical ID:

5638575

Name [?]:

N-[5-methyl-4-(4-phenylphenyl)-thiazol-2-yl]benzamide

SMILES [?]:

Cc1c(nc(s1)NC(=O)c2ccccc2)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C23H18N2OS/c1-16-21(19-14-12-18(13-15-19)17-8-4-2-5-9-17)24-23(27-16)25-22(26)20-10-6-3-7-11-20/h2-15H,1H3,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,25,13,24,26,12,14,23,27,11,15,18,20,17,21,2,22,19,16,10,3,8,5,4,7,9,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27nCCCNCSNCOCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s3;s16;d17;s18;d19;d16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈N₂OS
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4859
Area:	598.989
Solvation:	-2.48879
Coulombic:	-31.7913

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	370.468
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.62
LogP (Chemaxon):	6.13

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