Chemical ID: 6469075

CCN=C1N(C(=O)C(=Cc2ccc(cc2)N(CC)CC)S1)CC
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

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Descriptor Annotations

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