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Chemical ID: 7489222
Chemical ID:
7489222
Name [?]:
2-[2-(4-methoxyphenoxy)propanoyl-methyl-amino]-N-phenethyl-benzamide
SMILES [?]:
CC(C(=O)N(C)c1ccccc1C(=O)NCCc2ccccc2)Oc3ccc(cc3)OC
InChi [?]:
InChI=1/C26H28N2O4/c1-19(32-22-15-13-21(31-3)14-16-22)26(30)28(2)24-12-8-7-11-23(24)25(29)27-18-17-20-9-5-4-6-10-20/h4-16,19H,17-18H2,1-3H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,6,32,21,20,22,10,9,19,23,11,8,27,29,26,30,17,16,2,18,28,25,12,7,13,3,15,5,14,4,31,24/E:(5,6)(9,10)(13,14)(15,16)/rA:32cCCCONCCCCCCCCONCCCCCCCCOCCCCCCOC/rB:s1;s2;d3;s3;s5;s5;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s2;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O4 |
All Atoms: | 60 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0037 |
Area: | 688.537 |
Solvation: | -6.20967 |
Coulombic: | -54.913 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 432.512 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.53 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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