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Chemical ID: 5791977

CCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)COc3ccc(cc3)C

Chemical ID:

5791977

Name [?]:

N-[(4-ethoxyphenyl)methyleneamino]-4-[(4-methylphenoxy)methyl]benzamide

SMILES [?]:

CCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)COc3ccc(cc3)C

InChi [?]:

InChI=1/C24H24N2O3/c1-3-28-22-14-8-19(9-15-22)16-25-26-24(27)21-10-6-20(7-11-21)17-29-23-12-4-18(2)5-13-23/h4-16H,3,17H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,29,2,25,27,17,19,6,8,16,20,24,28,5,9,10,21,26,7,18,15,4,23,13,11,12,14,3,22/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCCOCCCCCCCNNCOCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5554
Area:	651.812
Solvation:	-5.73992
Coulombic:	-36.4232

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	388.459
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.39
LogP (Chemaxon):	5.32

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