Chemical ID: 6557710

c1ccc2c(c1)cccc2C(=O)OCC(=O)Nc3ccc(cc3)OC(F)(F)F
Chemical ID:
6557710
Name [?]:
[4-(trifluoromethoxy)phenyl]carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)OCC(=O)Nc3ccc(cc3)OC(F)(F)F
InChi [?]:
InChI=1/C20H14F3NO4/c21-20(22,23)28-15-10-8-14(9-11-15)24-18(25)12-27-19(26)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,19,23,20,22,14,5,18,21,4,10,15,11,25,26,27,28,17,16,12,13,24/E:(8,9)(10,11)(21,22,23)/rA:28nCCCCCCCCCCCOOCCONCCCCCCOCFFF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14F3NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6889
Area:571.054
Solvation:-3.58741
Coulombic:-74.5956
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.325
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.13
LogP (Chemaxon):4.33

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