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Chemical ID: 5999883

CCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)Nc3ccccc3OCC

Chemical ID:

5999883

Name [?]:

1-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-3-(2-ethoxyphenyl)-1-propyl-urea

SMILES [?]:

CCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)Nc3ccccc3OCC

InChi [?]:

InChI=1/C23H27ClN4O4/c1-3-13-26(23(31)25-19-7-5-6-8-20(19)32-4-2)14-21(29)27-15-22(30)28(16-27)18-11-9-17(24)10-12-18/h5-12H,3-4,13-16H2,1-2H3,(H,25,31)

InChi Info:

AuxInfo=1/1/N:1,32,2,31,26,27,25,28,16,18,15,19,3,5,9,13,17,14,24,29,6,10,21,20,23,4,8,12,7,11,22,30/E:(9,10)(11,12)/rA:32nCCCNCCONCCONCCCCCCCClCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s8s12;s12;s14;d15;s16;d17;d14s18;s17;s4;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇ClN₄O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5357
Area:	713.719
Solvation:	-5.30726
Coulombic:	-71.3243

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	458.938
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.92
LogP (Chemaxon):	3.22

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