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Chemical ID: 5999684

COCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)COc3ccccc3

Chemical ID:

5999684

Name [?]:

N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-(2-methoxyethyl)-2-phenoxy-acetamide

SMILES [?]:

COCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)COc3ccccc3

InChi [?]:

InChI=1/C22H24ClN3O5/c1-30-12-11-24(22(29)15-31-19-5-3-2-4-6-19)13-20(27)25-14-21(28)26(16-25)18-9-7-17(23)8-10-18/h2-10H,11-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,29,28,30,27,31,17,19,16,20,4,3,6,10,24,14,18,15,26,7,11,22,21,5,9,13,8,12,23,2,25/E:(3,4)(5,6)(7,8)(9,10)/rA:31nCOCCNCCONCCONCCCCCCCClCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s9s13;s13;s15;d16;s17;d18;d15s19;s18;s5;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄ClN₃O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.70086
Area:	688.43
Solvation:	-7.5099
Coulombic:	-64.9188

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	445.896
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	1.8
LogP (Chemaxon):	1.53

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