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Chemical ID: 4766153
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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