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Chemical ID: 7038046
Chemical ID:
7038046
Name [?]:
N-[(4-isopentyloxy-3-methoxy-phenyl)-(4-methoxybenzoyl)amino-methyl]-4-methoxy-benzamide
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C29H34N2O6/c1-19(2)16-17-37-25-15-10-22(18-26(25)36-5)27(30-28(32)20-6-11-23(34-3)12-7-20)31-29(33)21-8-13-24(35-4)14-9-21/h6-15,18-19,27H,16-17H2,1-5H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,3,26,37,14,20,24,31,35,9,21,23,32,34,8,4,5,11,2,19,30,10,22,33,7,12,15,17,28,16,27,18,29,25,36,13,6/E:(1,2)(3,4)(6,7,8,9)(11,12,13,14)(20,21)(23,24)(28,29)(30,31)(32,33)(34,35)/gE:(1,2)/rA:37nCCCCCOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s15;s27;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N2O6 |
All Atoms: | 71 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6584 |
Area: | 797.342 |
Solvation: | -9.27513 |
Coulombic: | -73.2966 |
Bond Count [?]
All: | 39 |
Single: | 28 |
Double: | 11 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 506.59 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 5.84 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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