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Chemical ID: 5191171
Chemical ID:
5191171
Name [?]:
4-chloro-N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-butanamide
SMILES [?]:
Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)CCCCl
InChi [?]:
InChI=1/C15H16Cl2N2OS/c1-10-4-5-11(8-13(10)17)7-12-9-18-15(21-12)19-14(20)3-2-6-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,3,4,20,9,6,11,2,5,10,7,16,13,21,8,12,15,17,14/rA:21nCCCCCCCClCCCNCSNCOCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16Cl2N2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5282 |
Area: | 561.451 |
Solvation: | -3.50804 |
Coulombic: | -25.8855 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.03 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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