Chemical ID: 4844724

CCOc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccccc3Cl
Chemical ID:
4844724
Name [?]:
3-(2-chlorophenyl)-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccccc3Cl
InChi [?]:
InChI=1/C18H14ClNO3S2/c1-2-23-15-9-11(7-8-14(15)21)10-16-17(22)20(18(24)25-16)13-6-4-3-5-12(13)19/h3-10,21H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,20,7,8,5,11,6,24,19,9,4,12,13,16,25,15,10,14,3,17,18/rA:25nCCOCCCCCCOCCCONCSSCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.147
Area:569.043
Solvation:-4.0791
Coulombic:-43.507
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:391.893
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.95
LogP (Chemaxon):4.81

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