Chemical ID: 5501177

CCN(c1ccccc1)C(=O)COC(=O)c2ccc(cc2)OC(F)(F)F
Chemical ID:
5501177
Name [?]:
(ethyl-phenyl-carbamoyl)methyl 4-(trifluoromethoxy)benzoate
SMILES [?]:
CCN(c1ccccc1)C(=O)COC(=O)c2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C18H16F3NO4/c1-2-22(14-6-4-3-5-7-14)16(23)12-25-17(24)13-8-10-15(11-9-13)26-18(19,20)21/h3-11H,2,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,9,17,21,18,20,12,16,4,19,10,14,23,24,25,26,3,11,15,13,22/E:(4,5)(6,7)(8,9)(10,11)(19,20,21)/rA:26nCCNCCCCCCCOCOCOCCCCCCOCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16F3NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2656
Area:556.829
Solvation:-3.65513
Coulombic:-69.2965
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:367.319
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.43
LogP (Chemaxon):3.44

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Descriptor Annotations

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