Chemical ID: 7141327

CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)OC)S2
Chemical ID:
7141327
Name [?]:
5-[(4-ethoxyphenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-3-24-16-8-4-13(5-9-16)12-17-18(22)21-19(25-17)20-14-6-10-15(23-2)11-7-14/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,8,18,22,5,9,19,21,10,7,17,20,4,11,12,15,16,14,13,23,3,25/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCCCCONCNCCCCCCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.73234
Area:568.202
Solvation:-4.4727
Coulombic:-43.306
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.34
LogP (Chemaxon):4.19

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