Chemical ID: 4315960

CCOc1ccc(cc1)N2C(=O)C(=Cc3ccccc3OC)SC2=O
Chemical ID:
4315960
Name [?]:
3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C(=Cc3ccccc3OC)SC2=O
InChi [?]:
InChI=1/C19H17NO4S/c1-3-24-15-10-8-14(9-11-15)20-18(21)17(25-19(20)22)12-13-6-4-5-7-16(13)23-2/h4-12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,17,18,16,19,6,8,5,9,14,15,7,4,20,13,11,24,10,12,25,21,3,23/E:(8,9)(10,11)/rA:25nCCOCCCCCCNCOCCCCCCCCOCSCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s13;s10s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.22277
Area:552.854
Solvation:-4.59858
Coulombic:-43.1967
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:355.409
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.39
LogP (Chemaxon):3.59

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