Chemical ID: 5521678

Cc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)OC(F)(F)F)C
Chemical ID:
5521678
Name [?]:
(2,6-dimethylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate
SMILES [?]:
Cc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)OC(F)(F)F)C
InChi [?]:
InChI=1/C18H16F3NO4/c1-11-4-3-5-12(2)16(11)22-15(23)10-25-17(24)13-6-8-14(9-7-13)26-18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,4,3,5,16,20,17,19,11,2,6,15,18,9,7,13,22,23,24,25,8,10,14,12,21/E:(1,2)(4,5)(6,7)(8,9)(11,12)(19,20,21)/rA:26nCCCCCCCNCOCOCOCCCCCCOCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;s22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16F3NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0388
Area:551.933
Solvation:-3.75948
Coulombic:-73.0229
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.319
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.32
LogP (Chemaxon):2.97

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Descriptor Annotations

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