Chemical ID: 7741239

Cc1c(n2c3c(nc2n1c4cccc(c4)OC)n(c(=O)n(c3=O)CCC(C)C)C)C
Chemical ID:
7741239
Name [?]:
None
SMILES [?]:
Cc1c(n2c3c(nc2n1c4cccc(c4)OC)n(c(=O)n(c3=O)CCC(C)C)C)C
InChi [?]:
InChI=1/C22H27N5O3/c1-13(2)10-11-25-20(28)18-19(24(5)22(25)29)23-21-26(14(3)15(4)27(18)21)16-8-7-9-17(12-16)30-6/h7-9,12-13H,10-11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:27,28,1,30,29,17,12,11,13,25,24,15,26,2,3,10,14,5,6,22,8,19,7,18,21,9,4,23,20,16/E:(1,2)/rA:30nCCCNCCNCNCCCCCCOCNCONCOCCCCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s6;s18;d19;s19;s5s21;d22;s21;s24;s25;s26;s26;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N5O3
All Atoms:57
Heavy Atoms:30
Chiral Atoms:None
ZAP Information [?]
Total:12.2021
Area:624.721
Solvation:-3.4159
Coulombic:-62.2607
Bond Count [?]
All:33
Single:25
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.2
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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