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Chemical ID: 4463071
Chemical ID:
4463071
Name [?]:
2-[(2-ethyl-6-methyl-phenyl)carbamoylmethoxy]-N-(2,4,6-trimethylphenyl)-benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2ccccc2C(=O)Nc3c(cc(cc3C)C)C)C
InChi [?]:
InChI=1/C27H30N2O3/c1-6-21-11-9-10-18(3)26(21)28-24(30)16-32-23-13-8-7-12-22(23)27(31)29-25-19(4)14-17(2)15-20(25)5/h7-15H,6,16H2,1-5H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,30,32,29,31,2,17,16,5,6,4,18,15,27,25,12,26,7,28,24,3,19,14,10,23,8,20,9,22,11,21,13/E:(4,5)(14,15)(19,20)/rA:32nCCCCCCCCNCOCOCCCCCCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s26;s24;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4661 |
Area: | 673.474 |
Solvation: | -6.37072 |
Coulombic: | -48.716 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 430.539 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.45 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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