Chemical ID: 7141121

COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
Chemical ID:
7141121
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
InChi [?]:
InChI=1/C19H18N2O5S/c1-24-12-5-6-13(15(10-12)25-2)20-19-21-18(23)17(27-19)9-11-4-7-14(22)16(8-11)26-3/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,10,25,19,4,5,20,23,17,8,18,3,6,21,7,22,16,14,12,11,13,26,15,2,9,24,27/rA:27nCOCCCCCCOCNCNCOCCCCCCCCOCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O5S
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.35192
Area:587.325
Solvation:-7.3312
Coulombic:-64.8774
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:386.423
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.43
LogP (Chemaxon):3.31

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