ChemDB: Chemical Search
Download
Chemical ID: 7020141
Chemical ID:
7020141
Name [?]:
3-chloro-N-[(3-chlorobenzoyl)amino-(4-isopentyloxyphenyl)-methyl]-benzamide
SMILES [?]:
CC(C)CCOc1ccc(cc1)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C26H26Cl2N2O3/c1-17(2)13-14-33-23-11-9-18(10-12-23)24(29-25(31)19-5-3-7-21(27)15-19)30-26(32)20-6-4-8-22(28)16-20/h3-12,15-17,24H,13-14H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,3,19,29,18,28,20,30,9,11,8,12,4,5,22,32,2,10,17,27,21,31,7,13,15,25,23,33,14,24,16,26,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(19,20)(21,22)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:33nCCCCCOCCCCCCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s13;s24;d25;s25;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26Cl2N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.6298 |
Area: | 769.06 |
Solvation: | -4.59674 |
Coulombic: | -54.8048 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 485.402 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.61 |
LogP (Chemaxon): | 6.15 |
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 |
---|