Chemical ID: 5540432

CCN1C(=O)C(=Cc2ccc(cc2Cl)Cl)SC1=Nc3ccc(cc3)C(=O)OC
Chemical ID:
5540432
Name [?]:
methyl 4-[5-[(2,4-dichlorophenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2Cl)Cl)SC1=Nc3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C20H16Cl2N2O3S/c1-3-24-18(25)17(10-13-4-7-14(21)11-16(13)22)28-20(24)23-15-8-5-12(6-9-15)19(26)27-2/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,9,21,23,10,20,24,7,12,22,8,11,19,13,6,4,25,17,15,14,18,3,5,26,27,16/E:(5,6)(8,9)/rA:28nCCNCOCCCCCCCCClClSCNCCCCCCCOOC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s13;s11;s6;s3s16;w17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16Cl2N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.0379
Area:625.82
Solvation:-2.60761
Coulombic:-45.9735
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:435.324
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.84
LogP (Chemaxon):5.52

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Experimental Annotations

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Descriptor Annotations

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