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Chemical ID: 7028869
Chemical ID:
7028869
Name [?]:
5-(3,4-dichlorophenyl)-N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1c2ccc(o2)C(=O)Nc3ncc(s3)Cc4cc(ccc4Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C21H12Cl4N2O2S/c22-13-2-4-15(23)12(7-13)8-14-10-26-21(30-14)27-20(28)19-6-5-18(29-19)11-1-3-16(24)17(25)9-11/h1-7,9-10H,8H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,24,2,25,8,9,22,20,5,17,6,21,23,18,26,3,4,7,10,12,15,28,27,30,29,16,14,13,11,19/rA:30nCCCCCCCCCCOCONCNCCSCCCCCCCClClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;d24;d21s25;s26;s23;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H12Cl4N2O2S |
All Atoms: | 42 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.4551 |
Area: | 711.613 |
Solvation: | -3.33521 |
Coulombic: | -38.5742 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 498.209 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.09 |
LogP (Chemaxon): | 6.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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