Chemical ID: 6001657

Cc1cc(no1)NC(=O)CN(C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C
Chemical ID:
6001657
Name [?]:
N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-tert-butyl-3,5-bis(trifluoromethyl)benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C
InChi [?]:
InChI=1/C19H19F6N3O3/c1-10-5-14(27-31-10)26-15(29)9-28(17(2,3)4)16(30)11-6-12(18(20,21)22)8-13(7-11)19(23,24)25/h5-8H,9H2,1-4H3,(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,30,31,3,15,19,17,10,2,14,16,18,4,8,12,28,24,20,25,26,27,21,22,23,7,5,11,9,13,6/E:(2,3,4)(6,7)(12,13)(18,19)(20,21,22,23,24,25)/rA:31nCCCCNONCOCNCOCCCCCCCFFFCFFFCCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s16;s24;s24;s24;s11;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19F6N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.49521
Area:573.051
Solvation:-5.83106
Coulombic:-76.0146
Bond Count [?]
All:32
Single:25
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:451.363
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.74
LogP (Chemaxon):4.09

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