Chemical ID: 7136230

c1ccc2c(c1)cccc2C=C3C(=O)NC(=Nc4ccc(cc4)O)S3
Chemical ID:
7136230
Name [?]:
2-(4-hydroxyphenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)cccc2C=C3C(=O)NC(=Nc4ccc(cc4)O)S3
InChi [?]:
InChI=1/C20H14N2O2S/c23-16-10-8-15(9-11-16)21-20-22-19(24)18(25-20)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,23H,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,9,3,19,23,20,22,11,5,10,18,21,4,12,13,16,17,15,24,14,25/E:(8,9)(10,11)/rA:25nCCCCCCCCCCCCCONCNCCCCCCOS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14N2O2S
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3533
Area:538.992
Solvation:-3.12147
Coulombic:-46.0409
Bond Count [?]
All:28
Single:17
Double:11
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:346.403
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.95
LogP (Chemaxon):5.07

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