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Chemical ID: 7741014
Chemical ID:
7741014
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)n2c(cn3c2nc4c3c(=O)n(c(=O)n4C)CCC(C)C)C
InChi [?]:
InChI=1/C22H27N5O3/c1-6-30-17-9-7-16(8-10-17)27-15(4)13-26-18-19(23-21(26)27)24(5)22(29)25(20(18)28)12-11-14(2)3/h7-10,13-14H,6,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,28,29,30,24,2,6,8,5,9,26,25,12,27,11,7,4,17,16,18,14,21,15,23,20,13,10,19,22,3/E:(2,3)(7,8)(9,10)/rA:30nCCOCCCCCCNCCNCNCCCONCONCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s10s13;d14;s15;s13d16;s17;d18;s18;s20;d21;s16s21;s23;s20;s25;s26;s27;s27;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N5O3 |
All Atoms: | 57 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5717 |
Area: | 640.068 |
Solvation: | -3.43003 |
Coulombic: | -62.4205 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.39 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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