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Chemical ID: 4562830

Cn1c2c(c(=O)n(c1=O)C)n3cc(n(c3n2)CCc4ccc(c(c4)OC)OC)c5ccccc5

Chemical ID:

4562830

Name [?]:

None

SMILES [?]:

Cn1c2c(c(=O)n(c1=O)C)n3cc(n(c3n2)CCc4ccc(c(c4)OC)OC)c5ccccc5

InChi [?]:

InChI=1/C25H25N5O4/c1-27-22-21(23(31)28(2)25(27)32)30-15-18(17-8-6-5-7-9-17)29(24(30)26-22)13-12-16-10-11-19(33-3)20(14-16)34-4/h5-11,14-15H,12-13H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,10,28,26,32,31,33,30,34,20,21,18,17,24,12,19,29,13,22,23,4,3,5,15,8,16,2,7,14,11,6,9,27,25/E:(6,7)(8,9)/rA:34nCNCCCONCOCNCCNCNCCCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;d12;s13;s11s14;s3d15;s14;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s13;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅N₅O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4185
Area:	664.056
Solvation:	-6.18294
Coulombic:	-70.1997

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	459.497
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.77
LogP (Chemaxon):	3.98

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