Chemical ID: 4190769

COc1cc(cc(c1)OC)C=C2C(=O)NC(=Nc3ccccc3Cl)S2
Chemical ID:
4190769
Name [?]:
2-(2-chlorophenyl)imino-5-[(3,5-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1)OC)C=C2C(=O)NC(=Nc3ccccc3Cl)S2
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-23-12-7-11(8-13(10-12)24-2)9-16-17(22)21-18(25-16)20-15-6-4-3-5-14(15)19/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,21,20,22,19,4,6,11,8,5,3,7,23,18,12,13,16,24,17,15,14,2,9,25/E:(1,2)(7,8)(12,13)(23,24)/rA:25nCOCCCCCCOCCCCONCNCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.36021
Area:565.92
Solvation:-4.78779
Coulombic:-43.1224
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:374.842
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.54
LogP (Chemaxon):4.36

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