Chemical ID: 7436381

CC1(CC2=C(C(=O)C1)C(C(=O)N2Cc3ccccc3)(C(F)(F)F)NC(=O)c4ccc(cc4)C(C)(C)C)C
Chemical ID:
7436381
Name [?]:
N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-tert-butyl-benzamide
SMILES [?]:
CC1(CC2=C(C(=O)C1)C(C(=O)N2Cc3ccccc3)(C(F)(F)F)NC(=O)c4ccc(cc4)C(C)(C)C)C
InChi [?]:
InChI=1/C29H31F3N2O3/c1-26(2,3)20-13-11-19(12-14-20)24(36)33-28(29(30,31)32)23-21(15-27(4,5)16-22(23)35)34(25(28)37)17-18-9-7-6-8-10-18/h6-14H,15-17H2,1-5H3,(H,33,36)
InChi Info:
AuxInfo=1/1/N:34,35,36,1,37,17,16,18,15,19,28,32,29,31,3,8,13,14,27,30,4,6,5,25,10,33,2,9,20,21,22,23,24,12,7,26,11/E:(1,2,3)(4,5)(7,8)(9,10)(11,12)(13,14)(30,31,32)/rA:37cCCCCCCOCCCONCCCCCCCCFFFNCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s2s6;s5;s9;d10;s4s10;s12;s13;s14;d15;s16;d17;d14s18;s9;s20;s20;s20;s9;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;s33;s33;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H31F3N2O3
All Atoms:68
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.0115
Area:685.288
Solvation:-4.12074
Coulombic:-66.9398
Bond Count [?]
All:40
Single:30
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:512.563
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.89
LogP (Chemaxon):5.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue