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Chemical ID: 7140002
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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