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Chemical ID: 7731026

CCc1ccc(cc1)N2CCn3c2nc4c3c(=O)n(c(=O)n4C)Cc5ccccc5

Chemical ID:

7731026

Name [?]:

None

SMILES [?]:

CCc1ccc(cc1)N2CCn3c2nc4c3c(=O)n(c(=O)n4C)Cc5ccccc5

InChi [?]:

InChI=1/C23H23N5O2/c1-3-16-9-11-18(12-10-16)26-13-14-27-19-20(24-22(26)27)25(2)23(30)28(21(19)29)15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,23,2,28,27,29,26,30,4,8,5,7,10,11,24,3,25,6,16,15,17,13,20,14,22,9,12,19,18,21/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCCNCCNCNCCCONCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s9s12;d13;s14;s12d15;s16;d17;s17;s19;d20;s15s20;s22;s19;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃N₅O₂
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	12.615
Area:	609.11
Solvation:	-2.61272
Coulombic:	-57.9906

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.29
LogP (Chemaxon):	None

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