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Chemical ID: 7143084
Chemical ID:
7143084
Name [?]:
N-[4-[5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(c(c4)Cl)Cl)S2
InChi [?]:
InChI=1/C22H15Cl2N3O3S/c1-12(28)25-14-3-5-15(6-4-14)26-22-27-21(29)20(31-22)11-16-7-9-19(30-16)13-2-8-17(23)18(24)10-13/h2-11H,1H3,(H,25,28)(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,24,6,10,7,9,19,25,20,28,17,2,23,5,8,18,26,27,21,16,14,12,30,29,4,11,13,3,15,22,31/E:(3,4)(5,6)/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;s27;s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15Cl2N3O3S |
All Atoms: | 46 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.3559 |
Area: | 681.86 |
Solvation: | -4.69063 |
Coulombic: | -54.4081 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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