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Chemical ID: 7029081
Chemical ID:
7029081
Name [?]:
5-(4-chlorophenyl)-N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(cc4)Cl)Cl
InChi [?]:
InChI=1/C21H14Cl2N2O2S/c22-15-7-5-13(6-8-15)18-9-10-19(27-18)20(26)25-21-24-12-16(28-21)11-14-3-1-2-4-17(14)23/h1-10,12H,11H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,26,23,25,18,17,7,9,21,5,24,8,4,19,16,14,11,27,28,10,13,15,20,12/E:(5,6)(7,8)/rA:28nCCCCCCCCCNCSNCOCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14Cl2N2O2S |
All Atoms: | 42 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9034 |
Area: | 642.32 |
Solvation: | -3.15463 |
Coulombic: | -38.7788 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 429.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.84 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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