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Chemical ID: 7409526
Chemical ID:
7409526
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(nc2n1CCc4ccccc4)n(c(=O)n(c3=O)CC(C)C)C
InChi [?]:
InChI=1/C21H25N5O2/c1-14(2)12-26-19(27)17-18(23(4)21(26)28)22-20-24(15(3)13-25(17)20)11-10-16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:26,27,1,28,15,14,16,13,17,11,10,24,3,25,2,12,5,6,22,8,19,7,18,9,4,21,23,20/E:(1,2)(6,7)(8,9)/rA:28nCCCNCCNCNCCCCCCCCNCONCOCCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s6;s18;d19;s19;s5s21;d22;s21;s24;s25;s25;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N5O2 |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5882 |
Area: | 597.206 |
Solvation: | -2.34198 |
Coulombic: | -56.5342 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 379.456 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.57 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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