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Chemical ID: 7393690
Chemical ID:
7393690
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)N2CCn3c2nc4c3c(=O)n(c(=O)n4C)CCC(C)C
InChi [?]:
InChI=1/C21H27N5O2/c1-13(2)8-9-26-19(27)17-18(23(5)21(26)28)22-20-24(10-11-25(17)20)16-7-6-14(3)15(4)12-16/h6-7,12-13H,8-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:27,28,1,8,23,3,4,25,24,10,11,6,26,2,7,5,16,15,17,13,20,14,22,9,12,19,18,21/E:(1,2)/rA:28nCCCCCCCCNCCNCNCCCONCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s9s12;d13;s14;s12d15;s16;d17;s17;s19;d20;s15s20;s22;s19;s24;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N5O2 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4621 |
Area: | 595.642 |
Solvation: | -2.42893 |
Coulombic: | -56.6106 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 381.472 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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