Chemical ID: 5139421

Cc1cc(ccc1N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2)Cl
Chemical ID:
5139421
Name [?]:
2-(4-chloro-2-methyl-phenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1cc(ccc1N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2)Cl
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-10-7-12(19)4-5-13(10)20-18-21-17(23)16(25-18)9-11-3-6-14(22)15(8-11)24-2/h3-9,22H,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,16,5,6,17,3,20,14,2,15,4,7,18,19,13,11,9,25,8,10,23,12,21,24/rA:25nCCCCCCCNCNCOCCCCCCCCOCOSCl/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.7749
Area:571.598
Solvation:-4.51505
Coulombic:-52.0978
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:374.842
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.45
LogP (Chemaxon):4.8

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