Chemical ID: 5801590

Cc1cccc(c1)N=C2NC(=O)C(=Cc3cc(c(c(c3)I)O)OC)S2
Chemical ID:
5801590
Name [?]:
5-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2NC(=O)C(=Cc3cc(c(c(c3)I)O)OC)S2
InChi [?]:
InChI=1/C18H15IN2O3S/c1-10-4-3-5-12(6-10)20-18-21-17(23)15(25-18)9-11-7-13(19)16(22)14(8-11)24-2/h3-9,22H,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,4,3,5,7,20,16,14,2,15,6,19,17,13,18,11,9,21,8,10,22,12,23,25/rA:25nCCCCCCCNCNCOCCCCCCCCIOOCS/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s17;s23;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15IN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1854
Area:580.003
Solvation:-4.31466
Coulombic:-52.0007
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:466.294
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.11
LogP (Chemaxon):5.27

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