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Chemical ID: 5640283

Cc1c(nc(s1)NC(=O)c2ccc(cc2)Br)c3ccc(cc3)c4ccccc4

Chemical ID:

5640283

Name [?]:

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

SMILES [?]:

Cc1c(nc(s1)NC(=O)c2ccc(cc2)Br)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C23H17BrN2OS/c1-15-21(18-9-7-17(8-10-18)16-5-3-2-4-6-16)25-23(28-15)26-22(27)19-11-13-20(24)14-12-19/h2-14H,1H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,24,28,19,21,18,22,11,15,12,14,2,23,20,17,10,13,3,8,5,16,4,7,9,6/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28nCCCNCSNCOCCCCCCBrCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s3;s17;d18;s19;d20;d17s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇BrN₂OS
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2378
Area:	630.083
Solvation:	-2.51432
Coulombic:	-31.4033

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	449.364
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.42
LogP (Chemaxon):	6.92

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