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Chemical ID: 4324083
Chemical ID:
4324083
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl3N2O2S/c19-12-2-4-13(5-3-12)25-10-17(24)23-18-22-9-14(26-18)7-11-1-6-15(20)16(21)8-11/h1-6,8-9H,7,10H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:19,2,4,1,5,20,17,23,14,8,18,3,6,15,21,22,9,12,26,25,24,13,11,10,7,16/E:(2,3)(4,5)/rA:26nCCCCCCOCCONCNCCSCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13Cl3N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8316 |
Area: | 648.379 |
Solvation: | -5.37788 |
Coulombic: | -34.4491 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 427.732 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 5.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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