Chemical ID: 6463714

CN1C(=O)C(=Cc2cccc(c2OC)OC)SC1=Nc3ccc(cc3)Cl
Chemical ID:
6463714
Name [?]:
2-(4-chlorophenyl)imino-5-[(2,3-dimethoxyphenyl)methylene]-3-methyl-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2cccc(c2OC)OC)SC1=Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-22-18(23)16(11-12-5-4-6-15(24-2)17(12)25-3)26-19(22)21-14-9-7-13(20)8-10-14/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,9,8,10,22,24,21,25,6,7,23,20,11,5,12,3,18,26,19,2,4,15,13,17/E:(7,8)(9,10)/rA:26nCNCOCCCCCCCCOCOCSCNCCCCCCCl/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s12;s13;s11;s15;s5;s2s17;w18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.7846
Area:570.337
Solvation:-4.47383
Coulombic:-40.3455
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:388.869
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.42
LogP (Chemaxon):4.61

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Descriptor Annotations

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