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Chemical ID: 7142663
Chemical ID:
7142663
Name [?]:
3-ethyl-2-ethylimino-5-[(4-ethylphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=NCC)S2)CC
InChi [?]:
InChI=1/C16H20N2OS/c1-4-12-7-9-13(10-8-12)11-14-15(19)18(6-3)16(20-14)17-5-2/h7-11H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,20,2,16,19,4,8,5,7,9,3,6,10,11,14,15,13,12,18/E:(7,8)(9,10)/rA:20nCCCCCCCCCCCONCNCCSCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;s10s14;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2OS |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7802 |
Area: | 500.469 |
Solvation: | -1.73147 |
Coulombic: | -26.0506 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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