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Chemical ID: 7141140
Chemical ID:
7141140
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C22H18N2O3S/c1-2-27-19-12-14(10-11-18(19)25)13-20-21(26)24-22(28-20)23-17-9-5-7-15-6-3-4-8-16(15)17/h3-13,25H,2H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,20,27,21,24,19,7,8,5,11,6,22,23,18,9,4,12,13,16,17,15,10,14,3,28/rA:28nCCOCCCCCCOCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O3S |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5891 |
Area: | 604.113 |
Solvation: | -4.5137 |
Coulombic: | -53.6656 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.456 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.29 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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