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Chemical ID: 5407963
Chemical ID:
5407963
Name [?]:
N-[4-(4-fluorophenyl)thiazol-2-yl]-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)F
InChi [?]:
InChI=1/C21H16FN3OS3/c1-13-2-4-14(5-3-13)18-11-28-21(24-18)29-12-19(26)25-20-23-17(10-27-20)15-6-8-16(22)9-7-15/h2-11H,12H2,1H3,(H,23,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,24,28,25,27,21,9,14,2,5,23,26,20,8,15,18,11,29,19,12,17,16,22,10,13/E:(2,3)(4,5)(6,7)(8,9)/rA:29nCCCCCCCCCSCNSCCONCNCCSCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16FN3OS3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0898 |
Area: | 664.181 |
Solvation: | -4.51469 |
Coulombic: | -37.2023 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 441.568 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.14 |
LogP (Chemaxon): | 6.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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