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Chemical ID: 5897020

CC1CCN(CC1)c2ccc(cc2C(=O)N3CCC(CC3)C)NC(=O)Nc4cccc(c4)OC

Chemical ID:

5897020

Name [?]:

3-(3-methoxyphenyl)-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)Nc4cccc(c4)OC

InChi [?]:

InChI=1/C27H36N4O3/c1-19-9-13-30(14-10-19)25-8-7-22(18-24(25)26(32)31-15-11-20(2)12-16-31)29-27(33)28-21-5-4-6-23(17-21)34-3/h4-8,17-20H,9-16H2,1-3H3,(H2,28,29,33)

InChi Info:

AuxInfo=1/1/N:1,22,34,29,28,30,10,9,3,7,18,20,4,6,17,21,32,12,2,19,27,11,31,13,8,14,24,26,23,5,16,15,25,33/E:(9,10)(11,12)(13,14)(15,16)/rA:34nCCCCNCCCCCCCCCONCCCCCCNCONCCCCCCOC/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;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₆N₄O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2812
Area:	709.238
Solvation:	-5.44973
Coulombic:	-64.4569

Bond Count [?]

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

Chemical Properties

Molecular Weight:	464.6
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.9
LogP (Chemaxon):	4.77

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