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Chemical ID: 7356777
Chemical ID:
7356777
Name [?]:
2-chloro-N-[5-(m-tolylmethyl)thiazol-2-yl]-2-phenyl-acetamide
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)NC(=O)C(c3ccccc3)Cl
InChi [?]:
InChI=1/C19H17ClN2OS/c1-13-6-5-7-14(10-13)11-16-12-21-19(24-16)22-18(23)17(20)15-8-3-2-4-9-15/h2-10,12,17H,11H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,4,3,5,19,23,7,8,10,2,6,18,9,17,15,12,24,11,14,16,13/E:(3,4)(8,9)/rA:24cCCCCCCCCCCNCSNCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2OS |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8944 |
Area: | 574.776 |
Solvation: | -3.47498 |
Coulombic: | -28.6739 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.87 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.39 |
LogP (Chemaxon): | 5.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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