ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7659600

Chemical ID:

7659600

Name [?]:

None

SMILES [?]:

CCOC(=O)c1cn(nc1c2ccccc2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C19H18N2O3/c1-3-24-19(22)17-13-21(15-9-11-16(23-2)12-10-15)20-18(17)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,2,14,13,15,12,16,18,22,19,21,7,11,17,20,6,10,4,9,8,5,23,3/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCOCOCCNNCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s10;s11;d12;s13;d14;d11s15;s8;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₃
All Atoms:	42
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	9.93165
Area:	540.335
Solvation:	-3.57673
Coulombic:	-33.3414

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.21
LogP (Chemaxon):	None

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