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Chemical ID: 7038027
Chemical ID:
7038027
Name [?]:
N-[(4-isobutoxy-3-methoxy-phenyl)-(4-methoxybenzoyl)amino-methyl]-4-methoxy-benzamide
SMILES [?]:
CC(C)COc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C28H32N2O6/c1-18(2)17-36-24-15-10-21(16-25(24)35-5)26(29-27(31)19-6-11-22(33-3)12-7-19)30-28(32)20-8-13-23(34-4)14-9-20/h6-16,18,26H,17H2,1-5H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,3,25,36,13,19,23,30,34,8,20,22,31,33,7,10,4,2,18,29,9,21,32,6,11,14,16,27,15,26,17,28,24,35,12,5/E:(1,2)(3,4)(6,7,8,9)(11,12,13,14)(19,20)(22,23)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:36nCCCCOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s14;s26;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N2O6 |
All Atoms: | 68 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1014 |
Area: | 773.201 |
Solvation: | -9.22866 |
Coulombic: | -73.0196 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 492.564 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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