Chemical ID: 4340614

CCN(CC)c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)C)SC2=S
Chemical ID:
4340614
Name [?]:
3-(4-diethylaminophenyl)-5-(p-tolylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCN(CC)c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)C)SC2=S
InChi [?]:
InChI=1/C21H22N2OS2/c1-4-22(5-2)17-10-12-18(13-11-17)23-20(24)19(26-21(23)25)14-16-8-6-15(3)7-9-16/h6-14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,23,2,4,19,21,18,22,7,11,8,10,16,20,17,6,9,15,13,25,3,12,14,26,24/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCNCCCCCCCCNCOCCCCCCCCCSCS/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s15;s12s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2OS2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.9128
Area:601.035
Solvation:-2.11311
Coulombic:-26.4811
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:382.544
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.88
LogP (Chemaxon):5.91

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Descriptor Annotations

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