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Chemical ID: 5191155
Chemical ID:
5191155
Name [?]:
4-chloro-N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-butanamide
SMILES [?]:
c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)CCCCl
InChi [?]:
InChI=1/C14H14Cl2N2OS/c15-6-2-5-13(19)18-14-17-9-12(20-14)8-10-3-1-4-11(16)7-10/h1,3-4,7,9H,2,5-6,8H2,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,2,6,17,19,4,8,10,3,5,9,15,12,20,7,11,14,16,13/rA:20nCCCCCCClCCCNCSNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14Cl2N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1597 |
Area: | 546.797 |
Solvation: | -3.51026 |
Coulombic: | -25.9788 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.245 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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