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Chemical ID: 5375120
Chemical ID:
5375120
Name [?]:
N-[(4-butoxy-3-methoxy-phenyl)-(3-methoxybenzoyl)amino-methyl]-3-methoxy-benzamide
SMILES [?]:
CCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)OC)NC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C28H32N2O6/c1-5-6-15-36-24-14-13-19(18-25(24)35-4)26(29-27(31)20-9-7-11-22(16-20)33-2)30-28(32)21-10-8-12-23(17-21)34-3/h7-14,16-18,26H,5-6,15H2,1-4H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,25,36,13,2,3,20,31,19,30,21,32,8,7,4,23,34,10,9,18,29,22,33,6,11,14,16,27,15,26,17,28,24,35,12,5/E:(2,3)(7,8)(9,10)(11,12)(16,17)(20,21)(22,23)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:36nCCCCOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s14;s26;d27;s27;s29;d30;s31;d32;d29s33;s33;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N2O6 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8135 |
Area: | 777.796 |
Solvation: | -9.63141 |
Coulombic: | -72.5826 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 492.564 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 5.34 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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