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Chemical ID: 6314936
Chemical ID:
6314936
Name [?]:
N-[4-benzoyl-2-[2-(3-methylphenoxy)acetyl]amino-phenyl]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(cc2NC(=O)COc3cccc(c3)C)C(=O)c4ccccc4
InChi [?]:
InChI=1/C31H28N2O5/c1-21-8-6-12-25(16-21)37-19-29(34)32-27-15-14-24(31(36)23-10-4-3-5-11-23)18-28(27)33-30(35)20-38-26-13-7-9-22(2)17-26/h3-18H,19-20H2,1-2H3,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,30,36,35,37,4,26,3,27,34,38,5,25,15,14,7,29,17,9,22,2,28,33,16,6,24,13,18,10,20,31,12,19,11,21,32,8,23/E:(4,5)(10,11)/rA:38nCCCCCCCOCCONCCCCCCNCOCOCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s28;s16;d31;s31;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H28N2O5 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1627 |
Area: | 799.972 |
Solvation: | -8.83662 |
Coulombic: | -65.8129 |
Bond Count [?]
All: | 41 |
Single: | 26 |
Double: | 15 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 508.565 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.76 |
LogP (Chemaxon): | 5.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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