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Chemical ID: 5939930
Chemical ID:
5939930
Name [?]:
N-[4-[2-(3,4-dichlorophenyl)aminothiazol-4-yl]phenyl]-2-fluoro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4ccc(c(c4)Cl)Cl)F
InChi [?]:
InChI=1/C22H14Cl2FN3OS/c23-17-10-9-15(11-18(17)24)27-22-28-20(12-30-22)13-5-7-14(8-6-13)26-21(29)16-3-1-2-4-19(16)25/h1-12H,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,23,24,27,17,13,10,22,5,25,26,4,16,7,19,29,28,30,9,21,20,8,18/E:(5,6)(7,8)/rA:30nCCCCCCCONCCCCCCCCSCNNCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;s18;s16d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H14Cl2FN3OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3058 |
Area: | 661.087 |
Solvation: | -4.2214 |
Coulombic: | -44.1553 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 458.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.45 |
LogP (Chemaxon): | 6.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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