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Chemical ID: 7142651
Chemical ID:
7142651
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(cc2Cl)Cl)S1)CC
InChi [?]:
InChI=1/C14H14Cl2N2OS/c1-3-17-14-18(4-2)13(19)12(20-14)7-9-5-6-10(15)8-11(9)16/h5-8H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,11,12,9,14,10,13,15,8,6,4,17,16,3,5,7,18/rA:20nCCNCNCOCCCCCCCCClClSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s15;s13;s4s8;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14Cl2N2OS |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.219 |
Area: | 518.048 |
Solvation: | -1.73221 |
Coulombic: | -25.9623 |
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: | 3.87 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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