ChemDB: Chemical Search
Download
Chemical ID: 5858569
Chemical ID:
5858569
Name [?]:
methyl 2-[4-[[2-(2,4-dichlorobenzoyl)amino-3-methyl-butanoyl]aminoiminomethyl]-2-methoxy-phenoxy]acetate
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(c(c1)OC)OCC(=O)OC)NC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C23H25Cl2N3O6/c1-13(2)21(27-22(30)16-7-6-15(24)10-17(16)25)23(31)28-26-11-14-5-8-18(19(9-14)32-3)34-12-20(29)33-4/h5-11,13,21H,12H2,1-4H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,3,17,23,11,29,28,12,15,31,9,19,2,10,30,27,32,13,14,20,4,25,5,34,33,8,24,7,21,26,6,16,22,18/E:(1,2)/rA:34cCCCCCONNCCCCCCCOCOCCOOCNCOCCCCCCClCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s19;d20;s20;s22;s4;s24;d25;s25;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25Cl2N3O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1611 |
Area: | 767.625 |
Solvation: | -9.02957 |
Coulombic: | -73.4197 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 510.367 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 4.86 |
LogP (Chemaxon): | 3.68 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|