Chemical ID: 6001679

Cc1cc(no1)NC(=O)CN(C(=O)c2ccc(cc2)C(F)(F)F)C(C)(C)C
Chemical ID:
6001679
Name [?]:
N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-tert-butyl-4-(trifluoromethyl)benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(C(=O)c2ccc(cc2)C(F)(F)F)C(C)(C)C
InChi [?]:
InChI=1/C18H20F3N3O3/c1-11-9-14(23-27-11)22-15(25)10-24(17(2,3)4)16(26)12-5-7-13(8-6-12)18(19,20)21/h5-9H,10H2,1-4H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,27,15,19,16,18,3,10,2,14,17,4,8,12,24,20,21,22,23,7,5,11,9,13,6/E:(2,3,4)(5,6)(7,8)(19,20,21)/rA:27nCCCCNONCOCNCOCCCCCCCFFFCCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;s11;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20F3N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.08453
Area:547.235
Solvation:-4.59636
Coulombic:-59.6348
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.365
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.81
LogP (Chemaxon):3.21

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