Chemical ID: 6463760

CN1C(=O)C(=Cc2ccc(c(c2)Cl)O)SC1=Nc3ccc(cc3)Cl
Chemical ID:
6463760
Name [?]:
5-[(3-chloro-4-hydroxy-phenyl)methylene]-2-(4-chlorophenyl)imino-3-methyl-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(c(c2)Cl)O)SC1=Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H12Cl2N2O2S/c1-21-16(23)15(9-10-2-7-14(22)13(19)8-10)24-17(21)20-12-5-3-11(18)4-6-12/h2-9,22H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,20,22,19,23,9,12,6,7,21,18,11,10,5,3,16,24,13,17,2,14,4,15/E:(3,4)(5,6)/rA:24nCNCOCCCCCCCCClOSCNCCCCCCCl/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s11;s10;s5;s2s15;w16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9516
Area:552.721
Solvation:-2.86642
Coulombic:-42.0067
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:379.261
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):5.35

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