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Chemical ID: 4779786
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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