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Chemical ID: 6882914
Chemical ID:
6882914
Name [?]:
N-(2-methoxyphenyl)-4-[(4-phenoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C28H24N2O5/c1-33-26-10-6-5-9-25(26)30-28(32)20-11-15-22(16-12-20)34-19-27(31)29-21-13-17-24(18-14-21)35-23-7-3-2-4-8-23/h2-18H,19H2,1H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,33,32,34,6,5,31,35,7,4,13,17,24,28,14,16,25,27,19,12,23,15,30,26,8,3,20,10,22,9,21,11,2,18,29/E:(3,4)(7,8)(11,12)(13,14)(15,16)(17,18)/rA:35nCOCCCCCCNCOCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O5 |
All Atoms: | 59 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.439 |
Area: | 734.511 |
Solvation: | -6.92374 |
Coulombic: | -66.5308 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 468.501 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.04 |
LogP (Chemaxon): | 5.11 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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