Chemical ID: 7141166

Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(cc3)N(C)C)S2
Chemical ID:
7141166
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-2-(2,4-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(cc3)N(C)C)S2
InChi [?]:
InChI=1/C20H21N3OS/c1-13-5-10-17(14(2)11-13)21-20-22-19(24)18(25-20)12-15-6-8-16(9-7-15)23(3)4/h5-12H,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,23,24,3,17,21,18,20,4,7,15,2,6,16,19,5,14,12,10,9,11,22,13,25/E:(3,4)(6,7)(8,9)/rA:25nCCCCCCCCNCNCOCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3OS
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.8993
Area:569.511
Solvation:-2.33845
Coulombic:-35.817
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:351.466
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.96
LogP (Chemaxon):5.55

Name Annotations

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Descriptor Annotations

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