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Chemical ID: 7142654
Chemical ID:
7142654
Name [?]:
3-ethyl-2-ethylimino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2cc(c(c(c2)OC)OC)OC)S1)CC
InChi [?]:
InChI=1/C17H22N2O4S/c1-6-18-17-19(7-2)16(20)14(24-17)10-11-8-12(21-3)15(23-5)13(9-11)22-4/h8-10H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,17,21,19,2,23,15,11,9,10,14,12,8,13,6,4,3,5,7,16,20,18,22/E:(3,4)(8,9)(12,13)(21,22)/rA:24nCCNCNCOCCCCCCCCOCOCOCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s12;s20;s4s8;s5;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O4S |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.39858 |
Area: | 548.198 |
Solvation: | -6.30637 |
Coulombic: | -45.3729 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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