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Chemical ID: 6433853
Chemical ID:
6433853
Name [?]:
N-(3,5-diphenoxyphenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cc(cc(c2)Oc3ccccc3)Oc4ccccc4
InChi [?]:
InChI=1/C26H21NO4/c1-29-21-14-12-19(13-15-21)26(28)27-20-16-24(30-22-8-4-2-5-9-22)18-25(17-20)31-23-10-6-3-7-11-23/h2-18H,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,22,29,21,23,28,30,20,24,27,31,5,7,4,8,17,13,15,6,12,3,19,26,16,14,9,11,10,2,18,25/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(22,23)(24,25)(30,31)/rA:31nCOCCCCCCCONCCCCCCOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s21;d22;d19s23;s14;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H21NO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4167 |
Area: | 648.277 |
Solvation: | -4.79023 |
Coulombic: | -46.3158 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 411.449 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.87 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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