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Chemical ID: 5759191
Chemical ID:
5759191
Name [?]:
5-(2-naphthylmethylene)-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C20H14N2OS/c23-19-18(24-20(22-19)21-17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,18,21,3,5,15,16,23,13,14,17,22,4,12,10,8,7,9,11,24/E:(2,3)(8,9)/rA:24nCCCCCCNCNCOCCCCCCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;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: | 11.0267 |
Area: | 526.165 |
Solvation: | -2.12743 |
Coulombic: | -31.2721 |
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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