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Chemical ID: 4315960
Chemical ID:
4315960
Name [?]:
3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C(=Cc3ccccc3OC)SC2=O
InChi [?]:
InChI=1/C19H17NO4S/c1-3-24-15-10-8-14(9-11-15)20-18(21)17(25-19(20)22)12-13-6-4-5-7-16(13)23-2/h4-12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,17,18,16,19,6,8,5,9,14,15,7,4,20,13,11,24,10,12,25,21,3,23/E:(8,9)(10,11)/rA:25nCCOCCCCCCNCOCCCCCCCCOCSCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s13;s10s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22277 |
Area: | 552.854 |
Solvation: | -4.59858 |
Coulombic: | -43.1967 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.409 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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