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Chemical ID: 5896603

CCOCCCNC(=O)c1cc(ccc1N2CCC(CC2)C)NC(=O)c3ccc(cc3Cl)Cl

Chemical ID:

5896603

Name [?]:

5-(2,4-dichlorobenzoyl)amino-N-(3-ethoxypropyl)-2-(4-methyl-1-piperidyl)-benzamide

SMILES [?]:

CCOCCCNC(=O)c1cc(ccc1N2CCC(CC2)C)NC(=O)c3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C25H31Cl2N3O3/c1-3-33-14-4-11-28-24(31)21-16-19(6-8-23(21)30-12-9-17(2)10-13-30)29-25(32)20-7-5-18(26)15-22(20)27/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,28,31)(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,22,2,5,28,13,27,14,18,20,6,17,21,4,30,11,19,29,12,26,10,31,15,8,24,33,32,7,23,16,9,25,3/E:(9,10)(12,13)/rA:33nCCOCCCNCOCCCCCCNCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s19;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₁Cl₂N₃O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4481
Area:	762.995
Solvation:	-5.62681
Coulombic:	-56.5599

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	492.437
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.81
LogP (Chemaxon):	4.58

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