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Chemical ID: 5909645

C=CCN(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(=O)COc3ccc(cc3)Cl

Chemical ID:

5909645

Name [?]:

2-[allyl-[2-(4-chlorophenoxy)acetyl]-amino]-N-benzyl-N-(2-furylmethyl)acetamide

SMILES [?]:

C=CCN(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(=O)COc3ccc(cc3)Cl

InChi [?]:

InChI=1/C25H25ClN2O4/c1-2-14-27(25(30)19-32-22-12-10-21(26)11-13-22)18-24(29)28(17-23-9-6-15-31-23)16-20-7-4-3-5-8-20/h2-13,15H,1,14,16-19H2

InChi Info:

AuxInfo=1/0/N:1,2,13,12,14,19,11,15,18,28,30,27,31,3,20,9,16,5,24,10,29,26,17,6,22,32,4,8,7,23,21,25/E:(4,5)(7,8)(10,11)(12,13)/rA:32nCCCNCCONCCCCCCCCCCCCOCOCOCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅ClN₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2168
Area:	703.419
Solvation:	-6.3687
Coulombic:	-50.4725

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	452.93
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.92
LogP (Chemaxon):	3.89

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