Chemical ID: 4337797

CCOc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccc(cc3)Cl)S2
Chemical ID:
4337797
Name [?]:
2-(4-chlorophenyl)imino-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccc(cc3)Cl)S2
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-2-24-15-9-11(3-8-14(15)22)10-16-17(23)21-18(25-16)20-13-6-4-12(19)5-7-13/h3-10,22H,2H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,7,20,22,19,23,8,5,11,6,21,18,9,4,12,13,16,24,17,15,10,14,3,25/E:(4,5)(6,7)/rA:25nCCOCCCCCCOCCCONCNCCCCCCClS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0739
Area:581.689
Solvation:-4.4683
Coulombic:-52.3282
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:374.842
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.65
LogP (Chemaxon):4.68

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