General Information of the Compound
Compound ID
CP0036471
Compound Name
2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1,2,4-oxadiazol-5-yl}thiophen-2-yl)ethanone
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Structure
Formula
C10H7F3N2O4S2
Molecular Weight
340.304
Canonical SMILES
CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F
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InChI
InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3
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InChIKey
AQCULNMHTOBDQM-UHFFFAOYSA-N
Physicochemical Property
logP
2.0877
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
90.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 17747371
SID: 28670015
ChEMBL ID
CHEMBL512516