Chemical ID: 4766153

COc1ccc(cc1)c2nc(cs2)c3ccc(cc3)c4ccccc4
Chemical ID:
4766153
Name [?]:
2-(4-methoxyphenyl)-4-(4-phenylphenyl)-thiazole
SMILES [?]:
COc1ccc(cc1)c2nc(cs2)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C22H17NOS/c1-24-20-13-11-19(12-14-20)22-23-21(15-25-22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,21,25,16,18,15,19,5,7,4,8,12,20,17,14,6,3,11,9,10,2,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25nCOCCCCCCCNCCSCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17NOS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.2641
Area:567.617
Solvation:-2.92637
Coulombic:-17.3618
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.443
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.25
LogP (Chemaxon):6.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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