Chemical ID: 7400501

c1ccc(c(c1)c2nnc(o2)SC3CC(=O)N(C3=O)c4cccc(c4)C(F)(F)F)O
Chemical ID:
7400501
Name [?]:
3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[3-(trifluoromethyl)phenyl]-pyrrolidine-2,5-dione
SMILES [?]:
c1ccc(c(c1)c2nnc(o2)SC3CC(=O)N(C3=O)c4cccc(c4)C(F)(F)F)O
InChi [?]:
InChI=1/C19H12F3N3O4S/c20-19(21,22)10-4-3-5-11(8-10)25-15(27)9-14(17(25)28)30-18-24-23-16(29-18)12-6-1-2-7-13(12)26/h1-8,14,26H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,22,23,21,6,3,25,14,24,20,5,4,13,15,7,18,10,26,27,28,29,8,9,17,30,16,19,11,12/E:(20,21,22)/rA:30cCCCCCCCNNCOSCCCONCOCCCCCCCFFFO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s12;s13;s14;d15;s15;s13s17;d18;s17;s20;d21;s22;d23;d20s24;s24;s26;s26;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12F3N3O4S
All Atoms:42
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.46001
Area:598.454
Solvation:-5.50133
Coulombic:-72.5687
Bond Count [?]
All:33
Single:23
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:435.378
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.14
LogP (Chemaxon):3.43

Name Annotations

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Descriptor Annotations

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