Chemical ID: 7140236

CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
Chemical ID:
7140236
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(2-naphthylimino)thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C23H20N2O3S/c1-3-28-19-11-8-15(12-20(19)27-2)13-21-22(26)25-23(29-21)24-18-10-9-16-6-4-5-7-17(16)14-18/h4-14H,3H2,1-2H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,11,2,24,25,23,26,6,21,20,5,8,12,28,7,22,27,19,4,9,13,14,17,18,16,15,10,3,29/rA:29nCCOCCCCCCOCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2O3S
All Atoms:49
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.1056
Area:623.344
Solvation:-5.47803
Coulombic:-44.0342
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:404.483
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.34
LogP (Chemaxon):5.19

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Descriptor Annotations

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