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Chemical ID: 7510396

c1ccc(cc1)COc2ccc(nn2)Oc3nc(nc(n3)N4CCOCC4)N5CCCCC5

Chemical ID:

7510396

Name [?]:

2-(6-benzyloxypyridazin-3-yl)oxy-4-morpholino-6-(1-piperidyl)-1,3,5-triazine

SMILES [?]:

c1ccc(cc1)COc2ccc(nn2)Oc3nc(nc(n3)N4CCOCC4)N5CCCCC5

InChi [?]:

InChI=1/C23H27N7O3/c1-3-7-18(8-4-1)17-32-19-9-10-20(28-27-19)33-23-25-21(29-11-5-2-6-12-29)24-22(26-23)30-13-15-31-16-14-30/h1,3-4,7-10H,2,5-6,11-17H2

InChi Info:

AuxInfo=1/0/N:1,31,2,6,30,32,3,5,10,11,29,33,23,27,24,26,7,4,9,12,18,20,16,19,17,21,14,13,28,22,25,8,15/E:(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)/rA:33nCCCCCCCOCCCCNNOCNCNCNNCCOCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s24;s25;s22s26;s18;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₇O₃
All Atoms:	60
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	11.8505
Area:	642.606
Solvation:	-4.21466
Coulombic:	-67.1451

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.44
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