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Chemical ID: 6148868
Chemical ID:
6148868
Name [?]:
N-[4-(2-anilinothiazol-4-yl)phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4ccccc4
InChi [?]:
InChI=1/C22H17N3OS/c26-21(17-7-3-1-4-8-17)23-19-13-11-16(12-14-19)20-15-27-22(25-20)24-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,26,3,5,23,27,12,14,11,15,17,13,4,22,10,16,7,19,9,21,20,8,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCONCCCCCCCCSCNNCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17N3OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.173 |
Area: | 597.69 |
Solvation: | -2.76924 |
Coulombic: | -42.1391 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 371.456 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.04 |
LogP (Chemaxon): | 5.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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