Chemical ID: 7140477

c1ccc(c(c1)c2ccc(o2)C=C3C(=O)NC(=Nc4ccc(cc4)Cl)S3)Cl
Chemical ID:
7140477
Name [?]:
5-[[5-(2-chlorophenyl)-2-furyl]methylene]-2-(4-chlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C=C3C(=O)NC(=Nc4ccc(cc4)Cl)S3)Cl
InChi [?]:
InChI=1/C20H12Cl2N2O2S/c21-12-5-7-13(8-6-12)23-20-24-19(25)18(27-20)11-14-9-10-17(26-14)15-3-1-2-4-16(15)22/h1-11H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,21,23,20,24,9,8,12,22,19,10,5,4,7,13,14,17,25,27,18,16,15,11,26/E:(5,6)(7,8)/rA:27nCCCCCCCCCCOCCCONCNCCCCCCClSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12Cl2N2O2S
All Atoms:39
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3787
Area:599.804
Solvation:-3.61636
Coulombic:-35.8305
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

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