Chemical ID: 5290786

Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3CCOC)C(=O)N4CCC(CC4)C
Chemical ID:
5290786
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3CCOC)C(=O)N4CCC(CC4)C
InChi [?]:
InChI=1/C22H27N5O3/c1-14-6-9-25(10-7-14)21(28)16-13-17-20(26(18(16)23)11-12-30-3)24-19-15(2)5-4-8-27(19)22(17)29/h4-5,8,13-14,23H,6-7,9-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:30,1,21,4,3,26,28,5,25,29,18,19,13,27,2,14,10,15,7,9,22,11,16,8,24,17,6,23,12,20/E:(6,7)(9,10)/rA:30nCCCCCNCNCCCOCCCNNCCOCCONCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s18;s19;s20;s14;d22;s22;s24;s25;s26;s27;s24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N5O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.35
Area:615.146
Solvation:-4.02864
Coulombic:-65.4957
Bond Count [?]
All:33
Single:25
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:409.482
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.35
LogP (Chemaxon):2.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue