Chemical ID: 7144165

c1ccc2cc(ccc2c1)NC3=NC(=O)C(=CC=Cc4ccco4)S3
Chemical ID:
7144165
Name [?]:
5-[3-(2-furyl)prop-2-enylidene]-2-(2-naphthylamino)thiazol-4-one
SMILES [?]:
c1ccc2cc(ccc2c1)NC3=NC(=O)C(=CC=Cc4ccco4)S3
InChi [?]:
InChI=1/C20H14N2O2S/c23-19-18(9-3-7-17-8-4-12-24-17)25-20(22-19)21-16-11-10-14-5-1-2-6-15(14)13-16/h1-13H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,18,22,10,3,19,21,17,8,7,23,5,9,4,6,20,16,14,12,11,13,15,24,25/rA:25nCCCCCCCCCCNCNCOCCCCCCCCOS/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s13;d14;s14;w16;s17;w18;s19;d20;s21;d22;s20s23;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14N2O2S
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0979
Area:568.737
Solvation:-3.12052
Coulombic:-37.545
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:346.403
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.59
LogP (Chemaxon):4.69

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