Chemical ID: 6559562

CCC(C)c1ccccc1NC(=O)COC(=O)c2ccc(cc2)OC(F)(F)F
Chemical ID:
6559562
Name [?]:
(2-sec-butylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate
SMILES [?]:
CCC(C)c1ccccc1NC(=O)COC(=O)c2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C20H20F3NO4/c1-3-13(2)16-6-4-5-7-17(16)24-18(25)12-27-19(26)14-8-10-15(11-9-14)28-20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,4,2,7,8,6,9,19,23,20,22,14,3,18,21,5,10,12,16,25,26,27,28,11,13,17,15,24/E:(8,9)(10,11)(21,22,23)/rA:28cCCCCCCCCCCNCOCOCOCCCCCCOCFFF/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20F3NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.5475
Area:603.908
Solvation:-3.55019
Coulombic:-74.4407
Bond Count [?]
All:29
Single:21
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:395.372
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.63
LogP (Chemaxon):4.27

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