Chemical ID: 5876252

CC(C)C(C(=O)NCCc1ccc(c(c1)OC)OC)NC(=O)Nc2ccccc2C(F)(F)F
Chemical ID:
5876252
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide
SMILES [?]:
CC(C)C(C(=O)NCCc1ccc(c(c1)OC)OC)NC(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C23H28F3N3O4/c1-14(2)20(29-22(31)28-17-8-6-5-7-16(17)23(24,25)26)21(30)27-12-11-15-9-10-18(32-3)19(13-15)33-4/h5-10,13-14,20H,11-12H2,1-4H3,(H,27,30)(H2,28,29,31)
InChi Info:
AuxInfo=1/1/N:1,3,19,17,27,26,28,25,11,12,9,8,15,2,10,29,24,13,14,4,5,21,30,31,32,33,7,23,20,6,22,18,16/E:(1,2)(24,25,26)/rA:33cCCCCCONCCCCCCCCOCOCNCONCCCCCCCFFF/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s4;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28F3N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.682
Area:695.725
Solvation:-6.71118
Coulombic:-89.9754
Bond Count [?]
All:34
Single:26
Double:8
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:467.481
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.62
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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