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Chemical ID: 4190769
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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