Chemical ID: 5527565

COc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)OC(F)(F)F
Chemical ID:
5527565
Name [?]:
(4-methoxyphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate
SMILES [?]:
COc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C17H14F3NO5/c1-24-13-8-4-12(5-9-13)21-15(22)10-25-16(23)11-2-6-14(7-3-11)26-17(18,19)20/h2-9H,10H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,21,5,7,18,20,4,8,12,16,6,3,19,10,14,23,24,25,26,9,11,15,2,13,22/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)/rA:26nCOCCCCCCNCOCOCOCCCCCCOCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F3NO5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.02002
Area:556.058
Solvation:-4.88143
Coulombic:-79.6861
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:369.292
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.78
LogP (Chemaxon):3.08

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