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Chemical ID: 7142607
Chemical ID:
7142607
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(c(c2)O)O)S1)CC
InChi [?]:
InChI=1/C14H16N2O3S/c1-3-15-14-16(4-2)13(19)12(20-14)8-9-5-6-10(17)11(18)7-9/h5-8,17-18H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,11,12,15,9,10,13,14,8,6,4,3,5,17,16,7,18/rA:20nCCNCNCOCCCCCCCCOOSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s13;s4s8;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O3S |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.20915 |
Area: | 483.861 |
Solvation: | -3.88739 |
Coulombic: | -56.163 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.25 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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