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Chemical ID: 5899569

CCc1ccc(cc1)NC(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCC(CC4)C

Chemical ID:

5899569

Name [?]:

1-(4-ethylphenyl)-3-[4-(4-methyl-1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-urea

SMILES [?]:

CCc1ccc(cc1)NC(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCC(CC4)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,32,2,23,24,4,8,5,7,14,15,28,30,22,25,27,31,18,29,3,6,13,17,16,19,10,9,12,26,21,20,11/E:(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:32nCCCCCCCCNCONCCCCCCCONCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;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:	13.2095
Area:	684.159
Solvation:	-3.89446
Coulombic:	-57.775

Bond Count [?]

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

Chemical Properties

Molecular Weight:	434.574
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.02
LogP (Chemaxon):	5.16

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