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Chemical ID: 6631294

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3)Cl

Chemical ID:

6631294

Name [?]:

[4-[[2-(3-chlorophenoxy)acetyl]aminoiminomethyl]phenyl] 4-propoxybenzoate

SMILES [?]:

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3)Cl

InChi [?]:

InChI=1/C25H23ClN2O5/c1-2-14-31-21-12-8-19(9-13-21)25(30)33-22-10-6-18(7-11-22)16-27-28-24(29)17-32-23-5-3-4-20(26)15-23/h3-13,15-16H,2,14,17H2,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,29,30,28,16,18,7,9,15,19,6,10,3,32,20,25,17,8,31,5,14,27,23,11,33,21,22,24,12,4,26,13/E:(6,7)(8,9)(10,11)(12,13)/rA:33nCCCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃ClN₂O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3815
Area:	754.018
Solvation:	-7.46892
Coulombic:	-53.9489

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	466.913
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.5
LogP (Chemaxon):	5.32

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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