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Chemical ID: 7516912
Chemical ID:
7516912
Name [?]:
N-[4-[2-(3-acetylphenyl)aminothiazol-4-yl]phenyl]acetamide
SMILES [?]:
CC(=O)c1cccc(c1)Nc2nc(cs2)c3ccc(cc3)NC(=O)C
InChi [?]:
InChI=1/C19H17N3O2S/c1-12(23)15-4-3-5-17(10-15)21-19-22-18(11-25-19)14-6-8-16(9-7-14)20-13(2)24/h3-11H,1-2H3,(H,20,24)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,6,5,7,17,21,18,20,9,14,2,23,16,4,19,8,13,11,22,10,12,3,24,15/E:(6,7)(8,9)/rA:25nCCOCCCCCCNCNCCSCCCCCCNCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O2S |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1505 |
Area: | 567.6 |
Solvation: | -4.03948 |
Coulombic: | -44.5407 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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