Chemical ID: 4658479

CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
Chemical ID:
4658479
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-3-25-15-9-4-12(10-16(15)24-2)11-17-18(23)21-19(26-17)20-13-5-7-14(22)8-6-13/h4-11,22H,3H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,20,24,21,23,5,8,12,7,19,22,4,9,13,14,17,18,16,25,15,10,3,26/E:(5,6)(7,8)/rA:26nCCOCCCCCCOCCCCONCNCCCCCCOS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.30753
Area:582.8
Solvation:-6.26246
Coulombic:-58.001
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:370.423
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.67
LogP (Chemaxon):3.9

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