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Chemical ID: 6420955

c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)CCN4CCCCC4)c5cccnc5

Chemical ID:

6420955

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)CCN4CCCCC4)c5cccnc5

InChi [?]:

InChI=1/C24H28N4O/c29-22(11-15-27-13-4-1-5-14-27)28-16-10-20-19-8-2-3-9-21(19)26-23(20)24(28)18-7-6-12-25-17-18/h2-3,6-9,12,17,24,26H,1,4-5,10-11,13-16H2

InChi Info:

AuxInfo=1/0/N:21,1,2,20,22,26,25,6,3,13,16,27,19,23,17,12,29,24,5,7,4,14,8,10,28,9,18,11,15/E:(4,5)(13,14)/rA:29cCCCCCCCCNCNCCCOCCNCCCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s11;d14;s14;s16;s17;s18;s19;s20;s21;s18s22;s10;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₄O
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2556
Area:	596.952
Solvation:	-3.66818
Coulombic:	-36.7671

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	388.505
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.36
LogP (Chemaxon):	2.69

Name Annotations

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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