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Chemical ID: 5527565
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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