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Chemical ID: 7263656
Chemical ID:
7263656
Name [?]:
4-cyano-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H12FN3OS/c1-11-16(13-6-8-15(19)9-7-13)21-18(24-11)22-17(23)14-4-2-12(10-20)3-5-14/h2-9H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,14,11,15,19,23,20,22,16,2,13,18,10,21,3,8,5,24,17,4,7,9,6/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCNCSNCOCCCCCCCNCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;t16;s3;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12FN3OS |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0391 |
Area: | 544.818 |
Solvation: | -3.58135 |
Coulombic: | -35.5586 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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