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Chemical ID: 7143392
Chemical ID:
7143392
Name [?]:
N-[4-[5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2
InChi [?]:
InChI=1/C22H15Cl2N3O3S/c1-12(28)25-13-5-7-14(8-6-13)26-22-27-21(29)19(31-22)11-15-9-10-18(30-15)20-16(23)3-2-4-17(20)24/h2-11H,1H3,(H,25,28)(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,6,10,7,9,19,20,17,2,5,8,18,24,28,21,16,23,14,12,30,29,4,11,13,3,15,22,31/E:(3,4)(5,6)(7,8)(16,17)(23,24)/rA:31nCCONCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15Cl2N3O3S |
All Atoms: | 46 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8487 |
Area: | 667.794 |
Solvation: | -4.84616 |
Coulombic: | -54.0759 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 472.344 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.96 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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