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Chemical ID: 6266930
Chemical ID:
6266930
Name [?]:
4-cyano-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)C#N)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H15N3O2S/c1-12-17(14-7-9-16(24-2)10-8-14)21-19(25-12)22-18(23)15-5-3-13(11-20)4-6-15/h3-10H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,12,14,11,15,19,23,20,22,16,2,13,18,10,21,3,8,5,17,4,7,9,24,6/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCNCSNCOCCCCCCCNCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;t16;s3;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3342 |
Area: | 575.981 |
Solvation: | -4.06531 |
Coulombic: | -38.8179 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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