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Chemical ID: 5899581

Cc1cccc(c1C)NC(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCC(CC4)C

Chemical ID:

5899581

Name [?]:

1-(2,3-dimethylphenyl)-3-[4-(4-methyl-1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-urea

SMILES [?]:

Cc1cccc(c1C)NC(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCC(CC4)C

InChi [?]:

InChI=1/C26H34N4O2/c1-18-11-15-29(16-12-18)24-10-9-21(17-22(24)25(31)30-13-4-5-14-30)27-26(32)28-23-8-6-7-19(2)20(23)3/h6-10,17-18H,4-5,11-16H2,1-3H3,(H2,27,28,32)

InChi Info:

AuxInfo=1/1/N:32,1,8,23,24,4,3,5,14,15,28,30,22,25,27,31,18,29,2,7,13,17,6,16,19,10,12,9,26,21,20,11/E:(4,5)(11,12)(13,14)(15,16)/rA:32nCCCCCCCCNCONCCCCCCCONCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s23;s21s24;s16;s26;s27;s28;s29;s26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₄N₄O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0056
Area:	676.086
Solvation:	-3.89655
Coulombic:	-57.3247

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	434.574
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.78
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

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value