Chemical ID: 6463742

CCCOc1ccccc1C=C2C(=O)NC(=Nc3cccc(c3C)Cl)S2
Chemical ID:
6463742
Name [?]:
2-(3-chloro-2-methyl-phenyl)imino-5-[(2-propoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCOc1ccccc1C=C2C(=O)NC(=Nc3cccc(c3C)Cl)S2
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-3-11-25-17-10-5-4-7-14(17)12-18-19(24)23-20(26-18)22-16-9-6-8-15(21)13(16)2/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,8,7,20,9,21,19,6,3,11,23,10,22,18,5,12,13,16,25,17,15,14,4,26/rA:26nCCCOCCCCCCCCCONCNCCCCCCCClS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.3594
Area:605.199
Solvation:-2.77054
Coulombic:-38.1656
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:386.896
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.64
LogP (Chemaxon):5.9

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