ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7508923

Chemical ID:

7508923

Name [?]:

1,4-dibenzyl-1,4-diazepane-5,7-dione

SMILES [?]:

c1ccc(cc1)CN2CCN(C(=O)CC2=O)Cc3ccccc3

InChi [?]:

InChI=1/C19H20N2O2/c22-18-13-19(23)21(15-17-9-5-2-6-10-17)12-11-20(18)14-16-7-3-1-4-8-16/h1-10H,11-15H2

InChi Info:

AuxInfo=1/0/N:1,21,2,6,20,22,3,5,19,23,9,10,14,7,17,4,18,15,12,8,11,16,13/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)(16,17)(18,19)(20,21)(22,23)/rA:23nCCCCCCCNCCNCOCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s8s14;d15;s11;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀N₂O₂
All Atoms:	43
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	8.19599
Area:	462.028
Solvation:	-3.35471
Coulombic:	-33.8169

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.2
LogP (Chemaxon):	None

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