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Chemical ID: 7741239
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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