ChemDB: Chemical Search
Download
Chemical ID: 5873742
Chemical ID:
5873742
Name [?]:
3-(2,3-dichlorophenyl)-1-(4-diethylamino-1-methyl-butyl)-1-[(4-ethoxyphenyl)methyl]urea
SMILES [?]:
CCN(CC)CCCC(C)N(Cc1ccc(cc1)OCC)C(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C25H35Cl2N3O2/c1-5-29(6-2)17-9-10-19(4)30(18-20-13-15-21(16-14-20)32-7-3)25(31)28-23-12-8-11-22(26)24(23)27/h8,11-16,19H,5-7,9-10,17-18H2,1-4H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,5,21,10,2,4,20,27,7,8,28,26,14,18,15,17,6,12,9,13,16,29,25,30,22,32,31,24,3,11,23,19/E:(1,2)(5,6)(13,14)(15,16)/rA:32cCCNCCCCCCCNCCCCCCCOCCCONCCCCCCClCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s11;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H35Cl2N3O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.7071 |
Area: | 681.805 |
Solvation: | -3.33806 |
Coulombic: | -45.6758 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 480.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.22 |
LogP (Chemaxon): | 5.08 |
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 |
---|