Chemical ID: 4779786

c1cc(sc1)CCNC(=O)c2ccc(cc2)C(F)(F)F
Chemical ID:
4779786
Name [?]:
N-[2-(2-thienyl)ethyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
c1cc(sc1)CCNC(=O)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C14H12F3NOS/c15-14(16,17)11-5-3-10(4-6-11)13(19)18-8-7-12-2-1-9-20-12/h1-6,9H,7-8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,12,16,13,15,6,7,5,11,14,3,9,17,18,19,20,8,10,4/E:(3,4)(5,6)(15,16,17)/rA:20nCCCSCCCNCOCCCCCCCFFF/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12F3NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.20038
Area:479.223
Solvation:-2.78019
Coulombic:-42.3753
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.28
LogP (Chemaxon):3.07

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