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Chemical ID: 7140010
Chemical ID:
7140010
Name [?]:
2-(4-ethoxyphenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C)S2
InChi [?]:
InChI=1/C19H18N2O2S/c1-3-23-16-10-8-15(9-11-16)20-19-21-18(22)17(24-19)12-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,19,21,18,22,6,8,5,9,16,20,17,7,4,15,13,11,10,12,14,3,24/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCOCCCCCCNCNCOCCCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6891 |
Area: | 550.972 |
Solvation: | -3.08523 |
Coulombic: | -36.9266 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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