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Chemical ID: 4784415
Chemical ID:
4784415
Name [?]:
N-(3,5-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cc2nc(cs2)C(=O)Nc3cc(cc(c3)Cl)Cl)Cl
InChi [?]:
InChI=1/C17H10Cl4N2OS/c18-9-4-10(19)6-11(5-9)22-17(24)15-8-25-16(23-15)7-12-13(20)2-1-3-14(12)21/h1-6,8H,7H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,18,22,8,12,19,21,17,4,3,5,11,9,14,24,23,25,7,16,10,15,13/E:(2,3)(5,6)(9,10)(13,14)(18,19)(20,21)/rA:25nCCCCCCClCCNCCSCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s10;d11;s9s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10Cl4N2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4214 |
Area: | 607.159 |
Solvation: | -1.75763 |
Coulombic: | -30.6406 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 432.151 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.77 |
LogP (Chemaxon): | 6.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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