Chemical ID: 5281136

CCn1c(=N)c(cc2c1nc3c(cccn3c2=O)C)C(=O)NCCN4CCCCC4
Chemical ID:
5281136
Name [?]:
None
SMILES [?]:
CCn1c(=N)c(cc2c1nc3c(cccn3c2=O)C)C(=O)NCCN4CCCCC4
InChi [?]:
InChI=1/C22H28N6O2/c1-3-27-18(23)16(21(29)24-9-13-26-10-5-4-6-11-26)14-17-20(27)25-19-15(2)8-7-12-28(19)22(17)30/h7-8,12,14,23H,3-6,9-11,13H2,1-2H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,19,2,28,27,29,14,13,23,26,30,15,24,7,12,6,8,4,11,9,20,17,5,22,10,25,3,16,21,18/E:(5,6)(10,11)/rA:30nCCNCNCCCCNCCCCCNCOCCONCCNCCCCC/rB:s1;s2;s3;w4;s4;d6;s7;s3d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s12;s6;d20;s20;s22;s23;s24;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N6O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.7286
Area:631.145
Solvation:-3.04998
Coulombic:-66.8185
Bond Count [?]
All:33
Single:25
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:408.497
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.17
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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