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Chemical ID: 6629736

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)c3ccccc3O

Chemical ID:

6629736

Name [?]:

[4-[(2-hydroxybenzoyl)aminoiminomethyl]-2-methoxy-phenyl] 4-ethoxybenzoate

SMILES [?]:

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)c3ccccc3O

InChi [?]:

InChI=1/C24H22N2O6/c1-3-31-18-11-9-17(10-12-18)24(29)32-21-13-8-16(14-22(21)30-2)15-25-26-23(28)19-6-4-5-7-20(19)27/h4-15,27H,3H2,1-2H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,20,2,28,29,27,30,15,6,8,5,9,14,17,21,16,7,4,26,31,13,18,24,10,22,23,32,25,11,19,3,12/E:(9,10)(11,12)/rA:32nCCOCCCCCCCOOCCCCCCOCCNNCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;w21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂N₂O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.22275
Area:	675.777
Solvation:	-7.67167
Coulombic:	-69.7996

Bond Count [?]

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

Chemical Properties

Molecular Weight:	434.441
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	5.5
LogP (Chemaxon):	4.68

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

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Chemical Mix	Source	External ID	Descriptor	Value