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Chemical ID: 7028809
Chemical ID:
7028809
Name [?]:
N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-5-(2-chlorophenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccccc4Cl
InChi [?]:
InChI=1/C22H16Cl2N2O2S/c1-13-6-7-14(11-18(13)24)10-15-12-25-22(29-15)26-21(27)20-9-8-19(28-20)16-4-2-3-5-17(16)23/h2-9,11-12H,10H2,1H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,25,26,24,27,3,4,20,19,9,6,11,2,5,10,23,28,7,21,18,16,13,29,8,12,15,17,22,14/rA:29nCCCCCCCClCCCNCSNCOCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16Cl2N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4098 |
Area: | 666.512 |
Solvation: | -3.25303 |
Coulombic: | -38.5396 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 443.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.07 |
LogP (Chemaxon): | 5.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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