Chemical ID: 6467920

CN1C(=O)C(=Cc2ccc(cc2)Cl)SC1=Nc3ccc(c(c3)C(=O)O)Cl
Chemical ID:
6467920
Name [?]:
2-chloro-5-[5-[(4-chlorophenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino-benzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2)Cl)SC1=Nc3ccc(c(c3)C(=O)O)Cl
InChi [?]:
InChI=1/C18H12Cl2N2O3S/c1-22-16(23)15(8-10-2-4-11(19)5-3-10)26-18(22)21-12-6-7-14(20)13(9-12)17(24)25/h2-9H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,12,9,11,18,19,6,22,7,10,17,21,20,5,3,23,15,13,26,16,2,4,24,25,14/E:(2,3)(4,5)(24,25)/rA:26nCNCOCCCCCCCCClSCNCCCCCCCOOCl/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s10;s5;s2s14;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12Cl2N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3989
Area:579.538
Solvation:-3.08956
Coulombic:-52.3869
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:407.271
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.09
LogP (Chemaxon):4.54

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Descriptor Annotations

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