Chemical ID: 5388924

c1cc(ccc1C(=O)OCC(=O)Nc2ccc(cc2)Br)OC(F)(F)F
Chemical ID:
5388924
Name [?]:
(4-bromophenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate
SMILES [?]:
c1cc(ccc1C(=O)OCC(=O)Nc2ccc(cc2)Br)OC(F)(F)F
InChi [?]:
InChI=1/C16H11BrF3NO4/c17-11-3-5-12(6-4-11)21-14(22)9-24-15(23)10-1-7-13(8-2-10)25-16(18,19)20/h1-8H,9H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,16,18,15,19,2,4,10,6,17,14,3,11,7,22,20,23,24,25,13,12,8,9,21/E:(1,2)(3,4)(5,6)(7,8)(18,19,20)/rA:25nCCCCCCCOOCCONCCCCCCBrOCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s3;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrF3NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.157
Area:549.177
Solvation:-3.57239
Coulombic:-73.2103
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:418.162
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.66
LogP (Chemaxon):4.12

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Descriptor Annotations

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