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Chemical ID: 4503571
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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Experimental Annotations
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Descriptor Annotations
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