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Chemical ID: 4382983

Chemical ID:

4382983

Name [?]:

4-(4,5-diphenylthiazol-2-yl)pyridine

SMILES [?]:

c1ccc(cc1)c2c(sc(n2)c3ccncc3)c4ccccc4

InChi [?]:

InChI=1/C20H14N2S/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-20(22-18)17-11-13-21-14-12-17/h1-14H

InChi Info:

AuxInfo=1/0/N:1,21,2,6,20,22,3,5,19,23,13,17,14,16,4,18,12,7,8,10,15,11,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:23nCCCCCCCCSCNCCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s8;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₄N₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9576
Area:	511.367
Solvation:	-1.8266
Coulombic:	-14.8174

Bond Count [?]

All:	26
Single:	15
Double:	11
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	314.405
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	4.67
LogP (Chemaxon):	4.89

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value