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Chemical ID: 6486868
Chemical ID:
6486868
Name [?]:
5-[[5-(2,4-dichlorophenyl)-2-furyl]methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(cc4Cl)Cl)S2
InChi [?]:
InChI=1/C20H12Cl2N2O2S/c21-12-6-8-15(16(22)10-12)17-9-7-14(26-17)11-18-19(25)24-20(27-18)23-13-4-2-1-3-5-13/h1-11H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,15,20,16,23,13,22,4,14,19,24,17,12,10,8,26,25,7,9,11,18,27/E:(2,3)(4,5)/rA:27nCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s22;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12Cl2N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5401 |
Area: | 597.772 |
Solvation: | -3.4042 |
Coulombic: | -35.6506 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 415.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.99 |
LogP (Chemaxon): | 5.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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