Chemical ID: 6497670

COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3)S2
Chemical ID:
6497670
Name [?]:
5-benzylidene-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3)S2
InChi [?]:
InChI=1/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)18-17-19-16(20)15(22-17)11-12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,5,7,4,8,15,16,6,3,14,12,10,9,11,13,2,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCOCCCCCCNCNCOCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.32146
Area:503.552
Solvation:-3.26734
Coulombic:-36.5964
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:310.371
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.01
LogP (Chemaxon):4.1

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Descriptor Annotations

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