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Chemical ID: 6463714
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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