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Chemical ID: 6369303
Chemical ID:
6369303
Name [?]:
4-methoxy-N-[3-(4-methoxybenzoyl)aminophenyl]-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cccc(c2)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C22H20N2O4/c1-27-19-10-6-15(7-11-19)21(25)23-17-4-3-5-18(14-17)24-22(26)16-8-12-20(28-2)13-9-16/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,14,13,15,5,7,22,26,4,8,23,25,17,6,21,12,16,3,24,9,19,11,18,10,20,2,27/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCOCCCCCCCONCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69138 |
Area: | 612.616 |
Solvation: | -5.62403 |
Coulombic: | -57.5591 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.405 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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