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Chemical ID: 6403562
Chemical ID:
6403562
Name [?]:
5-benzylidene-2-(2-naphthylimino)thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C20H14N2OS/c23-19-18(12-14-6-2-1-3-7-14)24-20(22-19)21-17-11-10-15-8-4-5-9-16(15)13-17/h1-13H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,3,5,18,21,16,15,7,23,4,17,22,14,8,9,12,13,11,10,24/E:(2,3)(6,7)/rA:24nCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0286 |
Area: | 525.221 |
Solvation: | -2.10195 |
Coulombic: | -31.2423 |
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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