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Chemical ID: 4575463

CC1c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)CCCN5CCOCC5

Chemical ID:

4575463

Name [?]:

None

SMILES [?]:

CC1c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)CCCN5CCOCC5

InChi [?]:

InChI=1/C22H28N4O3/c1-15-21-17(16-5-2-3-6-18(16)23-21)13-19-22(28)25(14-20(27)26(15)19)8-4-7-24-9-11-29-12-10-24/h2-3,5-6,15,19,23H,4,7-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,7,8,22,6,9,23,21,25,29,26,28,12,17,2,5,4,10,13,15,3,19,11,24,18,14,16,20,27/E:(9,10)(11,12)/rA:29cCCCCCCCCCCNCCNCOCNCOCCCNCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;s12;s2s13;s14;d15;s15;s17;s13s18;d19;s18;s21;s22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₄O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	2

ZAP Information [?]

Total:	10.4792
Area:	605.648
Solvation:	-4.66202
Coulombic:	-57.5325

Bond Count [?]

All:	33
Single:	27
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	396.483
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	0.71
LogP (Chemaxon):	0.56

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