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Chemical ID: 6851650
Chemical ID:
6851650
Name [?]:
4-chloro-N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-butanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCCCl)c2cccc(c2)Cl
InChi [?]:
InChI=1/C14H14Cl2N2OS/c1-9-13(10-4-2-5-11(16)8-10)18-14(20-9)17-12(19)6-3-7-15/h2,4-5,8H,3,6-7H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,11,15,17,10,12,19,2,14,18,8,3,5,13,20,7,4,9,6/rA:20nCCCNCSNCOCCCClCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s3;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14Cl2N2OS |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6656 |
Area: | 536.976 |
Solvation: | -2.75882 |
Coulombic: | -27.2087 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.245 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.54 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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