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Chemical ID: 6469075
Chemical ID:
6469075
Name [?]:
5-[(4-diethylaminophenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(cc2)N(CC)CC)S1)CC
InChi [?]:
InChI=1/C18H25N3OS/c1-5-19-18-21(8-4)17(22)16(23-18)13-14-9-11-15(12-10-14)20(6-2)7-3/h9-13H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,20,23,2,17,19,22,11,15,12,14,9,10,13,8,6,4,3,16,5,7,21/E:(2,3)(6,7)(9,10)(11,12)/rA:23nCCNCNCOCCCCCCCCNCCCCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s16;s19;s4s8;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N3OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2919 |
Area: | 548.558 |
Solvation: | -2.42209 |
Coulombic: | -31.0161 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.477 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.68 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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