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Chemical ID: 7141408
Chemical ID:
7141408
Name [?]:
5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]-2-(2-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2)F
InChi [?]:
InChI=1/C20H11Cl2FN2O2S/c21-12-4-3-5-13(22)18(12)16-9-8-11(27-16)10-17-19(26)25-20(28-17)24-15-7-2-1-6-14(15)23/h1-10H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:2,1,22,21,23,3,6,15,16,13,14,20,24,4,5,17,12,19,10,8,26,25,28,7,9,11,18,27/E:(4,5)(12,13)(21,22)/rA:28nCCCCCCNCNCOCCCCCCOCCCCCCClClSF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s20;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11Cl2FN2O2S |
All Atoms: | 39 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4 |
Area: | 596.826 |
Solvation: | -4.52061 |
Coulombic: | -39.352 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 433.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.15 |
LogP (Chemaxon): | 5.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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