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Chemical ID: 7142643
Chemical ID:
7142643
Name [?]:
3-ethyl-2-ethylimino-5-[(4-isopropylphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(cc2)C(C)C)S1)CC
InChi [?]:
InChI=1/C17H22N2OS/c1-5-18-17-19(6-2)16(20)15(21-17)11-13-7-9-14(10-8-13)12(3)4/h7-12H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,17,18,2,20,11,15,12,14,9,16,10,13,8,6,4,3,5,7,19/E:(3,4)(7,8)(9,10)/rA:21nCCNCNCOCCCCCCCCCCCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s4s8;s5;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2OS |
All Atoms: | 43 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.287 |
Area: | 520.218 |
Solvation: | -1.71849 |
Coulombic: | -26.3424 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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