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Chemical ID: 7142656
Chemical ID:
7142656
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OCC)O)S1)CC
InChi [?]:
InChI=1/C16H20N2O3S/c1-4-17-16-18(5-2)15(20)14(22-16)10-11-7-8-12(19)13(9-11)21-6-3/h7-10,19H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,18,2,21,17,11,12,15,9,10,13,14,8,6,4,3,5,19,7,16,20/rA:22nCCNCNCOCCCCCCCCOCCOSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13;s4s8;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3S |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.03534 |
Area: | 532.264 |
Solvation: | -4.27125 |
Coulombic: | -47.6996 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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