Chemical ID: 6190681

COc1cc(cc(c1O)OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
Chemical ID:
6190681
Name [?]:
5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1O)OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C18H16N2O5S/c1-24-13-7-10(8-14(25-2)16(13)22)9-15-17(23)20-18(26-15)19-11-3-5-12(21)6-4-11/h3-9,21-22H,1-2H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,11,20,24,21,23,4,6,12,5,19,22,3,7,13,8,14,17,18,16,25,9,15,2,10,26/E:(1,2)(3,4)(5,6)(7,8)(13,14)(24,25)/rA:26nCOCCCCCCOOCCCCONCNCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s5;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.0678
Area:563.819
Solvation:-7.02767
Coulombic:-73.6486
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:372.396
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.11
LogP (Chemaxon):3.28

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Descriptor Annotations

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