Chemical ID: 5273492

COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3cc(cc(c3)Cl)Cl)S2
Chemical ID:
5273492
Name [?]:
2-(3,5-dichlorophenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3cc(cc(c3)Cl)Cl)S2
InChi [?]:
InChI=1/C19H16Cl2N2O4S/c1-25-14-4-10(5-15(26-2)17(14)27-3)6-16-18(24)23-19(28-16)22-13-8-11(20)7-12(21)9-13/h4-9H,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,10,4,6,13,23,21,25,5,22,24,20,3,7,14,8,15,18,27,26,19,17,16,2,11,9,28/E:(1,2)(4,5)(8,9)(11,12)(14,15)(20,21)(25,26)/rA:28nCOCCCCCCOCOCCCCONCNCCCCCCClClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s24;s22;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.46869
Area:637.697
Solvation:-6.47374
Coulombic:-49.888
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:439.313
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.68
LogP (Chemaxon):4.63

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Descriptor Annotations

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