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Chemical ID: 5892126

c1cc(c(cc1C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCCC4)Cl)Cl

Chemical ID:

5892126

Name [?]:

3,4-dichloro-N-[4-(1-piperidyl)-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]-benzamide

SMILES [?]:

c1cc(c(cc1C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCCC4)Cl)Cl

InChi [?]:

InChI=1/C24H27Cl2N3O3/c25-20-8-6-16(13-21(20)26)23(30)28-17-7-9-22(29-10-2-1-3-11-29)19(14-17)24(31)27-15-18-5-4-12-32-18/h6-9,13-14,18H,1-5,10-12,15H2,(H,27,31)(H,28,30)

InChi Info:

AuxInfo=1/1/N:28,27,29,22,21,1,11,2,12,26,30,23,5,15,19,6,10,20,14,3,4,13,7,16,32,31,18,9,25,8,17,24/E:(2,3)(10,11)/rA:32cCCCCCCCONCCCCCCCONCCCCCONCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s20s23;s13;s25;s26;s27;s28;s25s29;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇Cl₂N₃O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.5996
Area:	714.131
Solvation:	-5.25368
Coulombic:	-56.9334

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	476.395
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.07
LogP (Chemaxon):	4.25

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