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Chemical ID: 7142612
Chemical ID:
7142612
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OC)OC)S1)CC
InChi [?]:
InChI=1/C16H20N2O3S/c1-5-17-16-18(6-2)15(19)14(22-16)10-11-7-8-12(20-3)13(9-11)21-4/h7-10H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,19,17,2,21,11,12,15,9,10,13,14,8,6,4,3,5,7,18,16,20/rA:22nCCNCNCOCCCCCCCCOCOCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s4s8;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3S |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.82579 |
Area: | 525.51 |
Solvation: | -5.31195 |
Coulombic: | -38.1772 |
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: | 2.19 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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