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Chemical ID: 4887301
Chemical ID:
4887301
Name [?]:
N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethyl-propanamide
SMILES [?]:
CC1(CC2=C(C(=O)C1)C(C(=O)N2Cc3ccccc3)(C(F)(F)F)NC(=O)C(C)(C)C)C
InChi [?]:
InChI=1/C23H27F3N2O3/c1-20(2,3)18(30)27-22(23(24,25)26)17-15(11-21(4,5)12-16(17)29)28(19(22)31)13-14-9-7-6-8-10-14/h6-10H,11-13H2,1-5H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:28,29,30,1,31,17,16,18,15,19,3,8,13,14,4,6,5,25,10,27,2,9,20,21,22,23,24,12,7,26,11/E:(1,2,3)(4,5)(7,8)(9,10)(24,25,26)/rA:31cCCCCCCOCCCONCCCCCCCCFFFNCOCCCCC/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;s27;s27;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27F3N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3698 |
Area: | 574.111 |
Solvation: | -3.98293 |
Coulombic: | -64.5338 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 436.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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