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Chemical ID: 7141327
Chemical ID:
7141327
Name [?]:
5-[(4-ethoxyphenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-3-24-16-8-4-13(5-9-16)12-17-18(22)21-19(25-17)20-14-6-10-15(23-2)11-7-14/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,8,18,22,5,9,19,21,10,7,17,20,4,11,12,15,16,14,13,23,3,25/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCCCCONCNCCCCCCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73234 |
Area: | 568.202 |
Solvation: | -4.4727 |
Coulombic: | -43.306 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.34 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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