Chemical ID: 7140002

c1ccc(cc1)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
Chemical ID:
7140002
Name [?]:
5-benzylidene-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C20H14N2OS/c23-19-18(13-14-7-2-1-3-8-14)24-20(22-19)21-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,21,16,3,5,23,17,20,15,7,4,18,19,14,8,9,12,13,11,10,24/E:(2,3)(7,8)/rA:24nCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14N2OS
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.137
Area:523.698
Solvation:-1.95548
Coulombic:-31.9272
Bond Count [?]
All:27
Single:16
Double:11
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:330.404
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):5.35

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Descriptor Annotations

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