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Chemical ID: 4315907
Chemical ID:
4315907
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-3-(4-ethoxyphenyl)-thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=O
InChi [?]:
InChI=1/C18H13Cl2NO3S/c1-2-24-14-7-5-13(6-8-14)21-17(22)16(25-18(21)23)9-11-3-4-12(19)10-15(11)20/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,6,8,5,9,14,19,15,18,7,4,20,13,11,24,22,21,10,12,25,3,23/E:(5,6)(7,8)/rA:25nCCOCCCCCCNCOCCCCCCCCClClSCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s18;s13;s10s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13Cl2NO3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0984 |
Area: | 583.647 |
Solvation: | -3.49278 |
Coulombic: | -36.5738 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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