Chemical ID: 7142607

CCN=C1N(C(=O)C(=Cc2ccc(c(c2)O)O)S1)CC
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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