Chemical ID: 7140185

COc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
Chemical ID:
7140185
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-2-(2-naphthylimino)thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C22H18N2O3S/c1-26-18-10-7-14(11-19(18)27-2)12-20-21(25)24-22(28-20)23-17-9-8-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,23,24,22,25,5,20,19,4,7,11,27,6,21,26,18,3,8,12,13,16,17,15,14,2,9,28/rA:28nCOCCCCCCOCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O3S
All Atoms:46
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.38505
Area:598.555
Solvation:-5.57883
Coulombic:-43.7723
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:390.456
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.92
LogP (Chemaxon):4.85

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