ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7479334

CC(=NNC(=O)c1ccc(cc1)OCc2ccccc2)c3ccc(cc3)c4ccccc4

Chemical ID:

7479334

Name [?]:

4-benzyloxy-N-[1-(4-phenylphenyl)ethylideneamino]benzamide

SMILES [?]:

CC(=NNC(=O)c1ccc(cc1)OCc2ccccc2)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C28H24N2O2/c1-21(23-12-14-25(15-13-23)24-10-6-3-7-11-24)29-30-28(31)26-16-18-27(19-17-26)32-20-22-8-4-2-5-9-22/h2-19H,20H2,1H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,18,30,17,19,29,31,16,20,28,32,22,26,23,25,8,12,9,11,14,2,15,21,27,24,7,10,5,3,4,6,13/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:32nCCNNCOCCCCCCOCCCCCCCCCCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;d16;s17;d18;d15s19;s2;s21;d22;s23;d24;d21s25;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₂
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.65
Area:	706.324
Solvation:	-5.00811
Coulombic:	-31.3219

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	420.502
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	7.7
LogP (Chemaxon):	6.08

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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