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Chemical ID: 7038002
Chemical ID:
7038002
Name [?]:
N-[(4-butoxy-3-methoxy-phenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
CCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C28H32N2O4/c1-5-6-17-34-24-16-15-23(18-25(24)33-4)26(29-27(31)21-11-7-19(2)8-12-21)30-28(32)22-13-9-20(3)10-14-22/h7-16,18,26H,5-6,17H2,1-4H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,24,34,13,2,3,20,22,30,32,19,23,29,33,8,7,4,10,21,31,18,28,9,6,11,14,16,26,15,25,17,27,12,5/E:(2,3)(7,8,9,10)(11,12,13,14)(19,20)(21,22)(27,28)(29,30)(31,32)/gE:(1,2)/rA:34nCCCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s14;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N2O4 |
All Atoms: | 66 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.127 |
Area: | 748.714 |
Solvation: | -6.59089 |
Coulombic: | -60.5217 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 460.565 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.38 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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