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Chemical ID: 7142621
Chemical ID:
7142621
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OC)OCC)S1)CC
InChi [?]:
InChI=1/C17H22N2O3S/c1-5-18-17-19(6-2)16(20)15(23-17)11-12-8-9-13(22-7-3)14(10-12)21-4/h8-11H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,20,17,2,22,19,11,12,15,9,10,13,14,8,6,4,3,5,7,16,18,21/rA:23nCCNCNCOCCCCCCCCOCOCCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s19;s4s8;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O3S |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.63476 |
Area: | 553.619 |
Solvation: | -5.20572 |
Coulombic: | -38.4396 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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