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Chemical ID: 6454379
Chemical ID:
6454379
Name [?]:
4-methoxy-N-phenyl-3-(4-tert-butylbenzoyl)amino-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2OC)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C25H26N2O3/c1-25(2,3)19-13-10-17(11-14-19)23(28)27-21-16-18(12-15-22(21)30-4)24(29)26-20-8-6-5-7-9-20/h5-16H,1-4H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,28,27,29,26,30,7,9,17,6,10,18,15,8,16,5,25,14,19,11,22,2,24,13,12,23,20/E:(1,2,3)(6,7)(8,9)(10,11)(13,14)/rA:30nCCCCCCCCCCCONCCCCCCOCCONCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;d22;s22;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0562 |
Area: | 648.666 |
Solvation: | -4.16042 |
Coulombic: | -52.8712 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.486 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.7 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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