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Chemical ID: 7516949
Chemical ID:
7516949
Name [?]:
N-[4-[2-(2,4-dichlorophenyl)aminothiazol-4-yl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C17H13Cl2N3OS/c1-10(23)20-13-5-2-11(3-6-13)16-9-24-17(22-16)21-15-7-4-12(18)8-14(15)19/h2-9H,1H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,7,9,19,6,10,18,21,12,2,8,20,5,22,17,11,14,24,23,4,16,15,3,13/E:(2,3)(5,6)/rA:24nCCONCCCCCCCCSCNNCCCCCCClCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13Cl2N3OS |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.7582 |
Area: | 579.832 |
Solvation: | -2.73758 |
Coulombic: | -38.558 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.57 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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