Chemical ID: 7141160

C=CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
Chemical ID:
7141160
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(2-naphthylimino)thiazolidin-4-one
SMILES [?]:
C=CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C23H18N2O2S/c1-2-13-27-20-11-7-16(8-12-20)14-21-22(26)25-23(28-21)24-19-10-9-17-5-3-4-6-18(17)15-19/h2-12,14-15H,1,13H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,25,7,9,20,19,6,10,3,11,27,8,21,26,18,5,12,13,16,17,15,14,4,28/E:(7,8)(11,12)/rA:28nCCCOCCCCCCCCCONCNCCCCCCCCCCS/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O2S
All Atoms:46
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8873
Area:609.902
Solvation:-3.36023
Coulombic:-39.6482
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:386.467
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.89
LogP (Chemaxon):5.84

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Descriptor Annotations

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