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Chemical ID: 5273492
Chemical ID:
5273492
Name [?]:
2-(3,5-dichlorophenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3cc(cc(c3)Cl)Cl)S2
InChi [?]:
InChI=1/C19H16Cl2N2O4S/c1-25-14-4-10(5-15(26-2)17(14)27-3)6-16-18(24)23-19(28-16)22-13-8-11(20)7-12(21)9-13/h4-9H,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,10,4,6,13,23,21,25,5,22,24,20,3,7,14,8,15,18,27,26,19,17,16,2,11,9,28/E:(1,2)(4,5)(8,9)(11,12)(14,15)(20,21)(25,26)/rA:28nCOCCCCCCOCOCCCCONCNCCCCCCClClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s24;s22;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46869 |
Area: | 637.697 |
Solvation: | -6.47374 |
Coulombic: | -49.888 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 439.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.68 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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