Chemical ID: 6403071

Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)OC)S2
Chemical ID:
6403071
Name [?]:
5-[(3-chloro-4-methoxy-phenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)OC)S2
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-11-3-6-13(7-4-11)20-18-21-17(22)16(24-18)10-12-5-8-15(23-2)14(19)9-12/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,16,4,6,17,20,14,2,15,5,19,18,13,11,9,21,8,10,12,22,24/E:(3,4)(6,7)/rA:24nCCCCCCCNCNCOCCCCCCCCClOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s22;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.61
Area:554.425
Solvation:-3.25062
Coulombic:-37.0638
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:358.843
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):5.08

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