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Chemical ID: 6627512

CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)c3cccc(c3)OC

Chemical ID:

6627512

Name [?]:

[2-ethoxy-4-[(3-methoxybenzoyl)aminoiminomethyl]phenyl] 4-chlorobenzoate

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)c3cccc(c3)OC

InChi [?]:

InChI=1/C24H21ClN2O5/c1-3-31-22-13-16(15-26-27-23(28)18-5-4-6-20(14-18)30-2)7-12-21(22)32-24(29)17-8-10-19(25)11-9-17/h4-15H,3H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,32,2,27,26,28,7,14,18,15,17,8,5,30,20,6,13,25,16,29,9,4,23,11,19,21,22,24,12,31,3,10/E:(8,9)(10,11)/rA:32nCCOCCCCCCOCOCCCCCCClCNNCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s6;w20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.0685
Area:	699.259
Solvation:	-6.41297
Coulombic:	-55.2111

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:	6.1
LogP (Chemaxon):	4.83

Name Annotations

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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