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Chemical ID: 7140129
Chemical ID:
7140129
Name [?]:
5-[(4-methoxyphenyl)methylene]-2-(2-naphthylimino)thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C21H16N2O2S/c1-25-18-10-6-14(7-11-18)12-19-20(24)23-21(26-19)22-17-9-8-15-4-2-3-5-16(15)13-17/h2-13H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,5,7,18,17,4,8,9,25,6,19,24,16,3,10,11,14,15,13,12,2,26/E:(6,7)(10,11)/rA:26nCOCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O2S |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6709 |
Area: | 562.724 |
Solvation: | -3.39717 |
Coulombic: | -37.6798 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 360.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.27 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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