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Chemical ID: 5999670

c1cc(ccc1N2CN(CC2=O)C(=O)CN(C3CC3)C(=O)C4CCCCC4)Cl

Chemical ID:

5999670

Name [?]:

N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-cyclopropyl-cyclohexanecarboxamide

SMILES [?]:

c1cc(ccc1N2CN(CC2=O)C(=O)CN(C3CC3)C(=O)C4CCCCC4)Cl

InChi [?]:

InChI=1/C21H26ClN3O3/c22-16-6-8-18(9-7-16)25-14-23(12-20(25)27)19(26)13-24(17-10-11-17)21(28)15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-14H2

InChi Info:

AuxInfo=1/0/N:25,24,26,23,27,2,4,1,5,18,19,10,15,8,22,3,17,6,13,11,20,28,9,16,7,14,12,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:28nCCCCCCNCNCCOCOCNCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7s10;d11;s9;d13;s13;s15;s16;s17;s17s18;s16;d20;s20;s22;s23;s24;s25;s22s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆ClN₃O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3037
Area:	622.563
Solvation:	-4.26036
Coulombic:	-49.1317

Bond Count [?]

All:	31
Single:	25
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	403.902
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.05
LogP (Chemaxon):	2.46

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value