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Chemical ID: 4301114
Chemical ID:
4301114
Name [?]:
N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2OS/c18-14-7-6-11(9-15(14)19)8-13-10-20-17(23-13)21-16(22)12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,18,15,21,12,16,4,13,19,20,7,10,23,22,11,9,8,14/E:(2,3)(4,5)/rA:23nCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12Cl2N2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2576 |
Area: | 568.333 |
Solvation: | -2.9507 |
Coulombic: | -29.3205 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 363.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.19 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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