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Chemical ID: 7141329
Chemical ID:
7141329
Name [?]:
2-(4-ethoxyphenyl)imino-5-[(4-ethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)OCC)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-3-24-16-9-5-14(6-10-16)13-18-19(23)22-20(26-18)21-15-7-11-17(12-8-15)25-4-2/h5-13H,3-4H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,6,8,18,22,5,9,19,21,10,7,17,4,20,11,12,15,16,14,13,3,23,26/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCOCCCCCCCCCONCNCCCCCCOCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5057 |
Area: | 594.375 |
Solvation: | -4.35369 |
Coulombic: | -43.5734 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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