Chemical ID: 7141318

CCc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)N(CC)CC)S2
Chemical ID:
7141318
Name [?]:
2-(4-diethylaminophenyl)imino-5-[(4-ethylphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)N(CC)CC)S2
InChi [?]:
InChI=1/C22H25N3OS/c1-4-16-7-9-17(10-8-16)15-20-21(26)24-22(27-20)23-18-11-13-19(14-12-18)25(5-2)6-3/h7-15H,4-6H2,1-3H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,26,2,23,25,4,8,5,7,17,21,18,20,9,3,6,16,19,10,11,14,15,13,22,12,27/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCCCCONCNCCCCCCNCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s22;s25;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3OS
All Atoms:52
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.3151
Area:620.302
Solvation:-2.19245
Coulombic:-36.57
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:379.52
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.05
LogP (Chemaxon):6.16

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Descriptor Annotations

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