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Chemical ID: 7141350
Chemical ID:
7141350
Name [?]:
5-[(4-ethoxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C22H18N2O2S/c1-2-26-17-12-10-15(11-13-17)14-20-21(25)24-22(27-20)23-19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,2H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,19,26,20,23,18,6,8,5,9,10,7,21,4,22,17,11,12,15,16,14,13,3,27/E:(10,11)(12,13)/rA:27nCCOCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4807 |
Area: | 589.331 |
Solvation: | -3.25258 |
Coulombic: | -38.3257 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 374.457 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.7 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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