Chemical ID: 5393310

CN1C(=O)C(SC1=Nc2cccc(c2)C(F)(F)F)CC(=O)NCCc3ccccc3
Chemical ID:
5393310
Name [?]:
2-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-5-yl]-N-phenethyl-acetamide
SMILES [?]:
CN1C(=O)C(SC1=Nc2cccc(c2)C(F)(F)F)CC(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C21H20F3N3O2S/c1-27-19(29)17(13-18(28)25-11-10-14-6-3-2-4-7-14)30-20(27)26-16-9-5-8-15(12-16)21(22,23)24/h2-9,12,17H,10-11,13H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,11,26,30,12,10,24,23,14,19,25,13,9,5,20,3,7,15,16,17,18,22,8,2,21,4,6/E:(3,4)(6,7)(22,23,24)/rA:30cCNCOCSCNCCCCCCCFFFCCONCCCCCCCC/rB:s1;s2;d3;s3;s5;s2s6;w7;s8;s9;d10;s11;d12;d9s13;s13;s15;s15;s15;s5;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20F3N3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.7881
Area:639.792
Solvation:-4.20668
Coulombic:-62.1778
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:435.464
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.09
LogP (Chemaxon):4.63

Name Annotations

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Descriptor Annotations

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