Chemical ID: 4503571

CC(C)(C)c1ccc(cc1)C(=O)NC2(C3=C(CCCC3=O)N(C2=O)Cc4ccccc4)C(F)(F)F
Chemical ID:
4503571
Name [?]:
N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)NC2(C3=C(CCCC3=O)N(C2=O)Cc4ccccc4)C(F)(F)F
InChi [?]:
InChI=1/C27H27F3N2O3/c1-25(2,3)19-14-12-18(13-15-19)23(34)31-26(27(28,29)30)22-20(10-7-11-21(22)33)32(24(26)35)16-17-8-5-4-6-9-17/h4-6,8-9,12-15H,7,10-11,16H2,1-3H3,(H,31,34)
InChi Info:
AuxInfo=1/1/N:1,3,4,29,28,30,18,27,31,17,19,7,9,6,10,25,26,8,5,16,20,15,11,23,2,14,32,33,34,35,13,22,21,12,24/E:(1,2,3)(5,6)(8,9)(12,13)(14,15)(28,29,30)/rA:35cCCCCCCCCCCCONCCCCCCCONCOCCCCCCCCFFF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;s17;s18;s15s19;d20;s16;s14s22;d23;s22;s25;s26;d27;s28;d29;d26s30;s14;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H27F3N2O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.9295
Area:657.696
Solvation:-5.51287
Coulombic:-64.6023
Bond Count [?]
All:38
Single:28
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:484.51
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.78
LogP (Chemaxon):4.45

Name Annotations

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Descriptor Annotations

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