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Chemical ID: 6488612
Chemical ID:
6488612
Name [?]:
N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-9-phenyl-4,5,7,9-tetrahydro-2H-acridin-10-yl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)N2C3=C(C(C4=C2CC(CC4=O)(C)C)c5ccccc5)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C31H34N2O3/c1-19(34)32-21-11-13-22(14-12-21)33-23-15-30(2,3)17-25(35)28(23)27(20-9-7-6-8-10-20)29-24(33)16-31(4,5)18-26(29)36/h6-14,27H,15-18H2,1-5H3,(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,22,23,35,36,27,26,28,25,29,6,10,7,9,17,34,19,32,2,24,5,8,16,12,20,30,14,15,13,18,33,4,11,3,21,31/E:(2,3,4,5)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(23,24)(25,26)(28,29)(30,31)(35,36)/rA:36nCCONCCCCCCNCCCCCCCCCOCCCCCCCCCOCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;s11d15;s16;s17;s18;s15s19;d20;s18;s18;s14;s24;d25;s26;d27;d24s28;s13;d30;s30;s32;s12s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H34N2O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8555 |
Area: | 670.254 |
Solvation: | -4.90086 |
Coulombic: | -40.4294 |
Bond Count [?]
All: | 40 |
Single: | 29 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 482.613 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.26 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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