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Chemical ID: 7141260
Chemical ID:
7141260
Name [?]:
2-(4-ethylphenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C22H18N2OS/c1-2-15-10-12-18(13-11-15)23-22-24-21(25)20(26-22)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-14H,2H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,18,25,19,17,22,4,8,5,7,15,3,20,16,6,21,14,12,10,9,11,13,26/E:(10,11)(12,13)/rA:26nCCCCCCCCNCNCOCCCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;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: | 0 |
ZAP Information [?]
Total: | 11.9357 |
Area: | 564.36 |
Solvation: | -2.17326 |
Coulombic: | -31.5021 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 358.457 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.26 |
LogP (Chemaxon): | 6.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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