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Chemical ID: 7741354

Cc1c(n2c3c(nc2n1CCc4ccccc4)n(c(=O)n(c3=O)CCC(C)C)C)C

Chemical ID:

7741354

Name [?]:

None

SMILES [?]:

Cc1c(n2c3c(nc2n1CCc4ccccc4)n(c(=O)n(c3=O)CCC(C)C)C)C

InChi [?]:

InChI=1/C23H29N5O2/c1-15(2)11-13-27-21(29)19-20(25(5)23(27)30)24-22-26(16(3)17(4)28(19)22)14-12-18-9-7-6-8-10-18/h6-10,15H,11-14H2,1-5H3

InChi Info:

AuxInfo=1/0/N:27,28,1,30,29,15,14,16,13,17,25,11,24,10,26,2,3,12,5,6,22,8,19,7,18,9,21,4,23,20/E:(1,2)(7,8)(9,10)/rA:30nCCCNCCNCNCCCCCCCCNCONCOCCCCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s6;s18;d19;s19;s5s21;d22;s21;s24;s25;s26;s26;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉N₅O₂
All Atoms:	59
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	13.7962
Area:	641.147
Solvation:	-2.23249
Coulombic:	-56.7719

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.59
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