Chemical ID: 7140821

c1ccc2c(c1)cccc2N=C3NC(=O)C(=Cc4cccs4)S3
Chemical ID:
7140821
Name [?]:
2-(1-naphthylimino)-5-(2-thienylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)cccc2N=C3NC(=O)C(=Cc4cccs4)S3
InChi [?]:
InChI=1/C18H12N2OS2/c21-17-16(11-13-7-4-10-22-13)23-18(20-17)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,20,6,7,19,3,9,21,17,5,18,4,10,16,14,12,11,13,15,22,23/rA:23nCCCCCCCCCCNCNCOCCCCCCSS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;w16;s17;d18;s19;d20;s18s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12N2OS2
All Atoms:35
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4938
Area:512.406
Solvation:-2.31635
Coulombic:-30.5763
Bond Count [?]
All:26
Single:16
Double:10
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:336.433
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):4.77

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Descriptor Annotations

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