Chemical ID: 4749001

Cc1ccsc1C=CC(=O)Nc2ccccc2C(F)(F)F
Chemical ID:
4749001
Name [?]:
3-(3-methyl-2-thienyl)-N-[2-(trifluoromethyl)phenyl]-prop-2-enamide
SMILES [?]:
Cc1ccsc1C=CC(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C15H12F3NOS/c1-10-8-9-21-13(10)6-7-14(20)19-12-5-3-2-4-11(12)15(16,17)18/h2-9H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,7,8,3,4,2,17,12,6,9,18,19,20,21,11,10,5/E:(16,17,18)/rA:21nCCCCSCCCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d2s5;s6;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12F3NOS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.68833
Area:456.952
Solvation:-2.73546
Coulombic:-40.8822
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:311.323
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.36
LogP (Chemaxon):4.46

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Descriptor Annotations

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