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Chemical ID: 4833997
Chemical ID:
4833997
Name [?]:
2-(3-chlorophenyl)imino-5-[(2,4-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)NC(=Nc3cccc(c3)Cl)S2
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-23-14-7-6-11(15(10-14)24-2)8-16-17(22)21-18(25-16)20-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,20,21,19,5,4,11,23,8,6,22,18,3,7,12,13,16,24,17,15,14,2,9,25/rA:25nCOCCCCCCOCCCCONCNCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3491 |
Area: | 574.448 |
Solvation: | -4.01212 |
Coulombic: | -43.6886 |
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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