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Chemical ID: 6851614
Chemical ID:
6851614
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-4-[(2,5-dimethoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
COc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(c(c3)Cl)OC)OC
InChi [?]:
InChI=1/C24H23ClN2O6/c1-30-18-9-11-22(32-3)20(13-18)27-23(28)14-33-17-7-4-15(5-8-17)24(29)26-16-6-10-21(31-2)19(25)12-16/h4-13H,14H2,1-3H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,31,33,16,18,24,15,19,4,25,5,28,8,12,17,23,14,3,27,7,26,6,10,20,29,22,9,11,21,2,30,32,13/E:(4,5)(7,8)/rA:33nCOCCCCCCNCOCOCCCCCCCONCCCCCCClOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;s30;s6;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O6 |
All Atoms: | 56 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.87728 |
Area: | 718.836 |
Solvation: | -9.09362 |
Coulombic: | -70.3573 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 470.902 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.69 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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