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Chemical ID: 6621308

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccc(cc3)Cl

Chemical ID:

6621308

Name [?]:

[4-[[2-(4-chlorophenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H21ClN2O5/c1-16-3-6-18(7-4-16)24(29)32-21-12-5-17(13-22(21)30-2)14-26-27-23(28)15-31-20-10-8-19(25)9-11-20/h3-14H,15H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,18,3,7,13,4,6,28,30,27,31,12,15,19,24,2,14,5,29,26,11,16,22,8,32,20,21,23,9,17,25,10/E:(3,4)(6,7)(8,9)(10,11)/rA:32nCCCCCCCCOOCCCCCCOCCNNCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁ClN₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3464
Area:	715.625
Solvation:	-7.54419
Coulombic:	-54.0786

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.887
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.88
LogP (Chemaxon):	4.98

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