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Chemical ID: 4703449
Chemical ID:
4703449
Name [?]:
4-[4-(3,4-dichlorophenyl)thiazol-2-yl]-N-methyl-benzamide
SMILES [?]:
CNC(=O)c1ccc(cc1)c2nc(cs2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2OS/c1-20-16(22)10-2-4-11(5-3-10)17-21-15(9-23-17)12-6-7-13(18)14(19)8-12/h2-9H,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,17,18,21,14,5,8,16,19,20,13,3,11,23,22,2,12,4,15/E:(2,3)(4,5)/rA:23nCNCOCCCCCCCNCCSCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;d11;s12;d13;s11s14;s13;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: | 11.9082 |
Area: | 569.849 |
Solvation: | -2.33804 |
Coulombic: | -30.4668 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 363.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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