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Chemical ID: 5873742

CCN(CC)CCCC(C)N(Cc1ccc(cc1)OCC)C(=O)Nc2cccc(c2Cl)Cl

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

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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