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Chemical ID: 7143359
Chemical ID:
7143359
Name [?]:
2-(2-ethylphenyl)amino-5-(1-naphthylmethylene)thiazol-4-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=Cc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C22H18N2OS/c1-2-15-8-4-6-13-19(15)23-22-24-21(25)20(26-22)14-17-11-7-10-16-9-3-5-12-18(16)17/h3-14H,2H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,5,23,6,18,4,25,19,17,22,7,15,3,20,16,21,8,14,12,10,9,11,13,26/rA:26nCCCCCCCCNCNCOCCCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2OS |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1836 |
Area: | 566.032 |
Solvation: | -1.96721 |
Coulombic: | -32.3812 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.31 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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