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Chemical ID: 7140088
Chemical ID:
7140088
Name [?]:
2-(2-ethylphenyl)imino-5-[(2-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccccc1N=C2NC(=O)C(=Cc3ccccc3OC)S2
InChi [?]:
InChI=1/C19H18N2O2S/c1-3-13-8-4-6-10-15(13)20-19-21-18(22)17(24-19)12-14-9-5-7-11-16(14)23-2/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,5,18,6,19,4,17,7,20,15,3,16,8,21,14,12,10,9,11,13,22,24/rA:24nCCCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6071 |
Area: | 543.686 |
Solvation: | -2.98503 |
Coulombic: | -37.8067 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.7 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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