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Chemical ID: 6650154

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3cccc(c3)Cl

Chemical ID:

6650154

Name [?]:

[4-[2-(3-chlorophenoxy)propanoylaminoiminomethyl]phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3cccc(c3)Cl

InChi [?]:

InChI=1/C24H21ClN2O4/c1-16-6-10-19(11-7-16)24(29)31-21-12-8-18(9-13-21)15-26-27-23(28)17(2)30-22-5-3-4-20(25)14-22/h3-15,17H,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,23,27,28,26,3,7,13,15,4,6,12,16,30,17,2,22,14,5,29,11,25,20,8,31,18,19,21,9,24,10/E:(6,7)(8,9)(10,11)(12,13)/rA:31cCCCCCCCCOOCCCCCCCNNCOCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s22;s24;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁ClN₂O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6735
Area:	693.914
Solvation:	-5.6744
Coulombic:	-48.2951

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	436.887
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.76
LogP (Chemaxon):	5.77

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

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Chemical Mix	Source	External ID	Descriptor	Value