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Chemical ID: 5897023

CC1CCN(CC1)c2ccc(cc2C(=O)N3CCC(CC3)C)NC(=O)Nc4ccc(c(c4)F)F

Chemical ID:

5897023

Name [?]:

3-(3,4-difluorophenyl)-1-[4-(4-methyl-1-piperidyl)-3-[(4-methyl-1-piperidyl)carbonyl]phenyl]-urea

SMILES [?]:

CC1CCN(CC1)c2ccc(cc2C(=O)N3CCC(CC3)C)NC(=O)Nc4ccc(c(c4)F)F

InChi [?]:

InChI=1/C26H32F2N4O2/c1-17-7-11-31(12-8-17)24-6-4-19(15-21(24)25(33)32-13-9-18(2)10-14-32)29-26(34)30-20-3-5-22(27)23(28)16-20/h3-6,15-18H,7-14H2,1-2H3,(H2,29,30,34)

InChi Info:

AuxInfo=1/1/N:1,22,28,10,29,9,3,7,18,20,4,6,17,21,12,32,2,19,11,27,13,30,31,8,14,24,34,33,23,26,5,16,15,25/E:(7,8)(9,10)(11,12)(13,14)/rA:34nCCCCNCCCCCCCCCONCCCCCCNCONCCCCCCFF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;s11;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂F₂N₄O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4185
Area:	685.485
Solvation:	-5.71862
Coulombic:	-64.2386

Bond Count [?]

All:	37
Single:	29
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	470.555
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.3
LogP (Chemaxon):	5.3

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value