Chemical ID: 4109790

CCOc1cc(cc(c1OC)I)C=C2C(=O)NC(=Nc3ccc(cc3)OC)S2
Chemical ID:
4109790
Name [?]:
5-[(3-ethoxy-5-iodo-4-methoxy-phenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1cc(cc(c1OC)I)C=C2C(=O)NC(=Nc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C20H19IN2O4S/c1-4-27-16-10-12(9-15(21)18(16)26-3)11-17-19(24)23-20(28-17)22-13-5-7-14(25-2)8-6-13/h5-11H,4H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,11,2,21,25,22,24,7,5,13,6,20,23,8,4,14,9,15,18,12,19,17,16,26,10,3,28/E:(5,6)(7,8)/rA:28nCCOCCCCCCOCICCCONCNCCCCCCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s8;s6;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;s26;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19IN2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.97297
Area:641.543
Solvation:-6.0656
Coulombic:-49.7622
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:510.346
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.06
LogP (Chemaxon):4.93

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Descriptor Annotations

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