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Chemical ID: 4365464
Chemical ID:
4365464
Name [?]:
N-[4-[2-(3-hydroxyphenyl)aminothiazol-4-yl]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)O
InChi [?]:
InChI=1/C22H17N3O2S/c26-19-8-4-7-18(13-19)24-22-25-20(14-28-22)15-9-11-17(12-10-15)23-21(27)16-5-2-1-3-6-16/h1-14,26H,(H,23,27)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,3,5,23,25,12,14,11,15,27,17,13,4,10,22,26,16,7,19,9,21,20,28,8,18/E:(2,3)(5,6)(9,10)(11,12)/rA:28nCCCCCCCONCCCCCCCCSCNNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;s18;s16d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17N3O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7295 |
Area: | 614.502 |
Solvation: | -3.63308 |
Coulombic: | -57.1578 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 387.455 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 4.63 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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